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Offlinechemist777
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Re: chemistry, benzene on the basis of the three-electron bond [Re: DieCommie]
    #24520225 - 07/31/17 01:26 PM (5 months, 16 days ago)

Quote:

DieCommie said:
All of chemistry is a quantum mechanical.  The electro-magnetic force is well incorporated into quantum theory.  Why do you call it "the forces of coulomb"?  Sounds like something from lord of the rings.




Under the "forces of Coulomb" was meant electromagnetic interaction (I thought this no one doubted). Why so called? Let us take a motionless electron in the first report system and then we will only have an electrostatic (Coulomb) field, in another reporting system that moves with some constant speed relative to the first one, we will already have a magnetic field... In principle, everything is single and clear, but yes, a more correct and strict term is "electromagnetic interaction", which actually exists.


Edited by chemist777 (07/31/17 01:30 PM)


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OfflineLearyfan
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Re: chemistry, benzene on the basis of the three-electron bond [Re: chemist777]
    #24532764 - 08/05/17 04:43 PM (5 months, 11 days ago)
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Mp3 of the month: Brass Toads - In The Back Of My Mind



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Offlinechemist777
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Re: chemistry, benzene on the basis of the three-electron bond [Re: Learyfan]
    #24534119 - 08/06/17 07:38 AM (5 months, 10 days ago)

As I understand, it is necessary to explain the previous post about the electric and magnetic fields.

The interaction of fixed charges (point) is completely described by the Coulomb's law:

                  F = k (q1*q2)/r^2

                q1-----------------q2
                          r

Let us consider the interaction of two point charges, which are at rest in the coordinate system K1.

However, in another coordinate system K2, moving relative to K1, these charges move with identical speed and their interaction becomes more difficult. Since, due to the motion of charges, the electric field at each point of space is variable (E = (k*q)/r^2, Е — the electric field) and therefore a magnetic field is generated in the system K2 (there is no magnetic field in the K1 system, since the electric field is constant). We remember that an alternating electric field generates a magnetic field and an alternating magnetic field generates an electric field.

Coulomb's law is insufficient to analyze the interaction of moving charges, and this is due to the relativistic properties of space and time and the relativistic equation of motion (the Coulomb's law has nothing to do with it). This follows from the following considerations.
Relativistic equations of motion:

                  dр/dt = F      (1)

Is invariant and has the same form in all inertial frame of reference. So in the coordinate system K2, which moves rectilinearly and uniformly with respect to K1:

                dр2/dt2 = F2      (2)

The left-hand sides of equations (1) and (2) include purely mechanical quantities (the behavior of which is known when passing from one coordinate system to another). Consequently, the left-hand sides of equations (1) and (2) can be related by some formula. But then the right parts of these equations (the equations of force) are related. Such a bond is conditioned the requirement of relativistic invariance of the equation of motion. Since speed enter the left-hand sides of equations (1) and (2), we conclude that the interaction of moving charges depends on the speed of motion and does not reduce to the Coulomb force.

Thus it is proved that the interaction of moving charges is realized not only by Coulomb force, but also by the force of another nature, called magnetic.

P.S. All the above evidence is in any decent physics textbooks for universities and old as this world.


Edited by chemist777 (08/06/17 08:00 AM)


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Offlinechemist777
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Re: chemistry, benzene on the basis of the three-electron bond [Re: Thebooedocksaint]
    #24548537 - 08/12/17 05:28 PM (5 months, 4 days ago)

Quote:

Thebooedocksaint said:
I, personally, would prefer a (recent) peer reviewed journal article.




The material about the three-electron bond is published in the American scientific peer-reviewed journal "Organic Chemistry: Current Research" (2017, Volume 6, Issue 2) in the work entitled "Theory of Three-Electron Bond in the Four Works with Brief Comments".

link 1: https://www.omicsonline.org/open-access/theory-of-threeelectron-bond-in-the-four-works-with-brief-comments-2161-0401-1000182.pdf

link 2: https://www.omicsonline.org/ArchiveOCCR/articleinpress-organic-chemistry-current-research-open-access.php

Reference about the OMICS group which includes the journal "Organic Chemistry. Current Research":

"OMICS International organizations 3000+ Global Conferences series Events every year across USA, Europe & Asia with support from 1000 more scientific Societies and Publishes 700+ Open Access Journals which contains over 50000 eminent personalities, reputed scientists as editorial board members."

link: https://www.omicsonline.org/organic-chemistry-current-research.php

Benzene on the basis of the three-electron bond on viXra:

Bezverkhniy Volodymyr (viXra): http://vixra.org/author/bezverkhniy_volodymyr_dmytrovych


Edited by chemist777 (08/13/17 09:19 AM)


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OfflineThebooedocksaint
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Re: chemistry, benzene on the basis of the three-electron bond [Re: chemist777]
    #24612963 - 09/08/17 05:31 AM (4 months, 8 days ago)

More of the same nonsense I see. But i will check out the paper for shits and giggles.

Yes. The electromagnetic interaction. .. . Everyone here with any physics or chemistry background knows the multi electron problem... I don't think anyone really doesn't think there is a magnetic and electrostatic interaction... Thats why the spin up and spin down electrons have differing energies due to the induced magnetic field of their orbit opposing/aligning with the induced magnetic field from the spin of the electron...

Making the dickish comment "and old as this world" is an awfully bold thing to say for a concept that has only been embraced within the last one hundred or so years..

I genuinely forget... But are electrons moving relativisticly If I wasn't posting from my phone Id just check.


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Offlinechemist777
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Re: chemistry, benzene on the basis of the three-electron bond [Re: Thebooedocksaint]
    #24613762 - 09/08/17 03:10 PM (4 months, 8 days ago)

Do not be nervous, not be rude Thebooedocksaint.

You have all correctly understood from the previous comments: a field in an atom or molecule can not be a conservative field by definition, and do not look for excuses where they do not exist.
And if the field is not conservative field, then tell me how the chemical bond is formed, I'll listen carefully ...

P.S. It is not necessary to run into the greatest theory in physics (Special Theory of Relativity), if you do not like it, find the error or specify but do not criticize it in a wordless way.


Edited by chemist777 (09/08/17 03:18 PM)


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Offlinechibiabos
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Re: chemistry, benzene on the basis of the three-electron bond [Re: Thebooedocksaint]
    #24614348 - 09/08/17 07:16 PM (4 months, 8 days ago)

Quote:

Thebooedocksaint said:
More of the same nonsense I see. But i will check out the paper for shits and giggles.



His English and his math kind of suck but the concept of a three electron bond is actually pretty useful for people who are studying compounds where concerns like conjugation and resonance structures are relevant.


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Offlinechemist777
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Re: chemistry, benzene on the basis of the three-electron bond [Re: chibiabos]
    #24615219 - 09/09/17 04:35 AM (4 months, 7 days ago)

Quote:

chibiabos said:
Quote:

Thebooedocksaint said:
More of the same nonsense I see. But i will check out the paper for shits and giggles.



His English and his math kind of suck but the concept of a three electron bond is actually pretty useful for people who are studying compounds where concerns like conjugation and resonance structures are relevant.






The concept of three-electron bonds outputs chemical bond issue on a completely different level. And there is no doubt that in due course there will be an experimental confirmation of the existence of a three-electron link and a theoretical justification (quantitative), which will show the chemical bond from a completely different angle of view.

But despite the philology (some are dissatisfied) from the previous post, the problem remains: if the field in the molecule is not a conservative field (as shown using the special theory of relativity), then how do we explain and describe the chemical bond...



P.S. About mathematics. Theory should not be difficult to be true. On the contrary, the simpler and clearer postulates and fewer of them all - the better. In the theory of three-electron bond there is one postulate: it is adopted that a three-electron bond exists, everything else is logically deduced.
I remember the story of the criticism of the publication of Christian Doppler (an Austrian mathematician and physicist, the Doppler effect), the main reproach was that such a simple theory (in the mathematical sense) can not be true, all the more so because it is only written on 8 or 9 pages...
Here is the link: https://en.wikipedia.org/wiki/Doppler_effect

And also about the simplicity, here are the Feynman diagrams (an intuitive, simple and effective way of describing interactions in Quantum field theory):










Oh my God and here there are only two-dimensional vectors, where is the difficulty?... :smile:



Richard Feynman was a brilliant physicist and he said wonderful words: "Do not fool yourself", do not forget them (I will not quote the words of the great Einstein about the way to fool yourself) ...


Edited by chemist777 (09/09/17 06:45 AM)


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OfflineThebooedocksaint
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Re: chemistry, benzene on the basis of the three-electron bond [Re: chemist777]
    #24626649 - 09/13/17 05:30 PM (4 months, 3 days ago)

So are you just suggesting that the two and the three electron bonding exists, or are you implying there is only three electron bonding exists? Because if it is the former you certainly did not express your opinion as such.

I feel like many of your critiques you have given me apply just as much to three electrons as they do with two.


It's been a few years since i dealt with fields, but shouldn't the electric field created by two (usually larger) point charges that are (usually) closer to the individual electrons produce a larger field?

Do you mind me asking what you believe the correct interpretation of quantum theory (with atomic orbitals) is, as I know most people either try to disregard thinking about it or are rather strictly for or against certain interpretations.


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Offlinechemist777
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Re: chemistry, benzene on the basis of the three-electron bond [Re: Thebooedocksaint]
    #24634372 - 09/16/17 07:34 AM (4 months, 20 hours ago)

Quote:

Thebooedocksaint said:
So are you just suggesting that the two and the three electron bonding exists, or are you implying there is only three electron bonding exists? Because if it is the former you certainly did not express your opinion as such.

I feel like many of your critiques you have given me apply just as much to three electrons as they do with two.


It's been a few years since i dealt with fields, but shouldn't the electric field created by two (usually larger) point charges that are (usually) closer to the individual electrons produce a larger field?

Do you mind me asking what you believe the correct interpretation of quantum theory (with atomic orbitals) is, as I know most people either try to disregard thinking about it or are rather strictly for or against certain interpretations.





1. Exist three-electron bonds (multiplicity 1.5), two-electron bonds (multiplicity 1), one-electron bonds (multiplicity 0.5), etc., there are no contradictions here. The nature of the chemical bond is the same for all types of bonds, and therefore chemical bond notices refer to any type of bond (three-electron, single, double, triple, one-electron). I am sure that in the future we will show from the physical point of view the qualitative unity of the chemical bond of any multiplicity (the physical essence is one). In principle, this is inevitable, and this is only a matter of time, as is the experimental confirmation of the three-electron bond and its quantitative description.

The above also confirms the bond energy. Look, the bond energy (calculated per one electron) in the one-electron bond is greater than in the two-electron bond (and what are they fundamentally different from the physical point of view?): the energy of the chemical bond in H2 + counting for one electron is even greater than in the hydrogen molecule. Ponder this fact: there is no electronic pair, there is no exchange interaction, and the bond energy per one electron is more than in the classical two-electron coupling :smile:
Compare, the dissociation energy in H2 + is 2.648 eV, and the dissociation energy in the hydrogen molecule is 4.477 eV, that is, in the recalculation for one electron we get (4.477 / 2) 2.239 eV, which is easy to understand considering the repulsion between electrons.


2. The electric field created at a point by two sources is naturally the vector sum of the fields of individual sources, this is the principle of superposition (the intensity of the electrostatic field created at a given point by a system of charges is the vector sum of the field intensities of individual charges), and otherwise can not be ... And more or less it depends on the specific phenomenon.

3. Let's remember the history.
The atomic orbital (AO) is a one-electron wave function obtained by solving the Schrödinger equation. E. Schrödinger considered an electron in an atom as a negatively charged cloud whose density is proportional to the square of the value of the wave function at the corresponding point of the atom. In this form, the concept of an electron cloud was also perceived in theoretical chemistry. But from the physical point of view, it is true that the electron is a particle of a certain size (now we will not analyze the radius of an electron, etc. problems), that is, it is not a wave or a cloud with a negative charge. There was a contradiction between the treatment in chemistry and the fact that there is an electron in the real world (physical interpretation). Therefore, Max Born substantiated the probabilistic interpretation of the square of the wave function. E. Schrödinger did not immediately, but still agreed with the arguments of M. Born. This is a modern point of view, and note that it is not contradictory, it is true from the point of view of physics and from the point of view of chemistry.

Therefore, personally I like everything (probabilistic interpretation of the wave function), this is a typical wave description, which corresponds to reality. And the different interpretations of E. Schrödinger and M. Born were the elimination of contradictions in understanding between chemists and physicists, such a "mutual agreement between physicists and chemists".


Edited by chemist777 (09/16/17 09:28 AM)


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Offlinechemist777
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Re: chemistry, benzene on the basis of the three-electron bond [Re: chemist777]
    #24752948 - 11/01/17 08:56 PM (2 months, 16 days ago)

The Pauli exclusion principle and the chemical bond. Heisenberg's uncertainty principle and chemical bond.

The present work shows the inapplicability of the Pauli principle to chemical bond, and a new theoretical model of the chemical bond is proposed based on the Heisenberg uncertainty principle.

Review (127 pages). Benzene on the Basis of the Three-Electron Bond. (The Pauli exclusion principle, Heisenberg's uncertainty principle and chemical bond) See pp. 88 - 104. http://vixra.org/pdf/1710.0326v1.pdf



The Pauli exclusion principle and the chemical bond.

The Pauli exclusion principle — this is the fundamental principle of quantum mechanics, which asserts that two or more identical fermions (particles with half-integral spin) can not simultaneously be in the same quantum state.

Wolfgang Pauli, a Swiss theoretical physicist, formulated this principle in 1925 [1]. In chemistry exactly Pauli exclusion principle often considered as a ban on the existence of three-electron bonds with a multiplicity of 1.5, but it can be shown that Pauli exclusion principle does not prohibit the existence of three-electron bonds. To do this, analyze the Pauli exclusion principle in more detail.

According to Pauli exclusion principle in a system consisting of identical fermions, two (or more) particles can not be in the same states [2]. The corresponding formulas of the wave functions and the determinant are given in the reference (this is a standard consideration of the fermion system), but we will concentrate our attention on the derivation: "... Of course, in this formulation, Pauli exclusion principle can only be applied to systems of weakly interacting particles, when one can speak (at least approximately on the states of individual particles) "[2]. That is, Pauli exclusion principle can only be applied to weakly interacting particles, when one can talk about the states of individual particles.

But if we recall that any classical chemical bond is formed between two nuclei (this is a fundamental difference from atomic orbitals), which somehow "pull" the electrons one upon another, it is logical to assume that in the formation of a chemical bond, the electrons can no longer be regarded as weakly interacting particles . This assumption is confirmed by the earlier introduced notion of a chemical bond as a separate semi-virtual particle (natural component of the particle "parts" can not be weakly interacting).

Representations of the chemical bond given in the chapter "The Principle of Heisenberg's Uncertainty and the Chemical Bond" categorically reject the statements about the chemical bond as a system of weakly interacting electrons. On the contrary, it follows from the above description that in the chemical bond, the electrons "lose" their individuality and "occupy" the entire chemical bond, that is, the electrons in the chemical bond "interact as much as possible", which directly indicates the inapplicability of the Pauli exclusion principle to the chemical bond. Moreover, the quantum-mechanical uncertainty in momentum and coordinate, in fact, strictly indicates that in the chemical bond, electrons are a system of "maximally" strongly interacting particles, and the whole chemical bond is a separate particle in which there is no place for the notion of an "individual" electron, its velocity, coordinate, energy, etc., description. This is fundamentally not true. The chemical bond is a separate particle, called us "semi-virtual particle", it is a composite particle that consists of individual electrons (strongly interacting), and spatially located between the nuclei.

Thus, the introduction of a three-electron bond with a multiplicity of 1.5 is justified from the chemical point of view (simply explains the structure of the benzene molecule, aromaticity, the structure of organic and inorganic substances, etc.) is confirmed by the Pauli exclusion principle and the logical assumption of a chemical bond as system of strongly interacting particles (actually a separate semi-virtual particle), and as a consequence the inapplicability of the Pauli exclusion principle to a chemical bond.

1. Pauli W. Uber den Zusammenhang des Abschlusses der Elektronengruppen in Atom mit der Komplexstruktur der Spektren, - Z. Phys., 1925, 31, 765-783.

2. A.S. Davydov. Quantum mechanics. Second edition. Publishing house "Science". Moscow, 1973, p. 334.



Heisenberg's uncertainty principle and chemical bond.

For further analysis of chemical bond, let us consider the Compton wavelength of an electron:

λc.е. = h/(me*c)= 2.4263 * 10^(-12) m

The Compton wavelength of an electron is equivalent to the wavelength of a photon whose energy is equal to the rest energy of the electron itself (the standard conclusion is given below):

λ = h/(m*v),    E = h*γ,    E = me*c^2,    c = γ*λ,    γ = c/λ

E = h*γ,    E = h*(c/λ) = me*c^2,      λc.е. = h/(me*c)

where λ is the Louis de Broglie wavelength, me is the mass of the electron, c, γ is the speed and frequency of light, and h is the Planck constant.
It is more interesting to consider what happens to an electron in a region with linear dimensions smaller than the Compton wavelength of an electron. According to Heisenberg uncertainty in this area, we have a quantum mechanical uncertainty in the momentum of at least m*c and a quantum mechanical uncertainty in the energy of at least me*c^2 :

Δp ≥ mе*c    and    ΔE ≥ me*c^2

which is sufficient for the production of virtual electron-positron pairs. Therefore, in such a region the electron can no longer be regarded as a "point object", since it (an electron) spends part of its time in the state "electron + pair (positron + electron)". As a result of the above, an electron at distances smaller than the Compton length is a system with an infinite number of degrees of freedom and its interaction should be described within the framework of quantum field theory. Most importantly, the transition to the intermediate state "electron + pair (positron + electron)" carried per time ~ λc.е./c

Δt = λc.е./c = 2.4263*10^(-12)/c = 8.1*10^(-20) s

Now we will try to use all the above-mentioned to describe the chemical bond using Einstein's theory of relativity and Heisenberg's uncertainty principle. To do this, let's make one assumption: suppose that the wavelength of an electron on a Bohr orbit (the hydrogen atom) is the same Compton wavelength of an electron, but in another frame of reference, and as a result there is a 137-times greater Compton wavelength (due to the effects of relativity theory):

λc.е. = h/(me*c) = 2.4263*10^(-12) m

λb. = h/(me*v)= 2*π*R = 3.31*10^(-10) m

λb./λc.е.= 137

where R= 0.527 Å, the Bohr radius.

Since the De Broglie wavelength in a hydrogen atom (according to Bohr) is 137 times larger than the Compton wavelength of an electron, it is quite logical to assume that the energy interactions will be 137 times weaker (the longer the photon wavelength, the lower the frequency, and hence the energy ). We note that 1 / 137.036 is a fine structure constant, the fundamental physical constant characterizing the force of electromagnetic interaction was introduced into science in 1916 year by the German physicist Arnold Sommerfeld as a measure of relativistic corrections in describing atomic spectra within the framework of the model of the N. Bohr atom.

To describe the chemical bond, we use the Heisenberg uncertainty principle:

Δx * Δp ≥ ћ/2

Given the weakening of the energy interaction 137 times, the Heisenberg uncertainty principle can be written in the form:

Δx * Δp ≥ (ћ*137)/2

According to the last equation, the quantum mechanical uncertainty in the momentum of an electron in a chemical bond must be at least me * c, and the quantum mechanical uncertainty in the energy is not less than me * c ^ 2, which should also be sufficient for the production of virtual electron-positron pairs.

Therefore, in the field of chemical bonding, in this case, an electron can not be regarded as a "point object", since it (an electron) will spend part of its time in the state "electron + pair (positron + electron)", and therefore its interaction should be described in the framework of quantum field theory.
This approach makes it possible to explain how, in the case of many-electron chemical bonds (two-electron, three-electron, etc.), repulsion between electrons is overcome: since the chemical bond is actually a "boiling mass" of electrons and positrons, virtual positrons "help" overcome the repulsion between electrons. This approach assumes that the chemical bond is in fact a closed spatial bag (a potential well in the energy sense), in which "boiling" of real electrons and also virtual positrons and electrons occurs, and the "volume" of this potential bag is actually a "volume" of chemical bond and also the spatial measure of the quantum-mechanical uncertainty in the position of the electron.

Strictly speaking, with such a consideration, the electron no longer has a certain energy, momentum, coordinates, and is no longer a "point particle", but actually takes up the "whole volume" of chemical bonding. It can be argued that in the chemical bond a single electron is depersonalized and loses its individuality, in fact it does not exist, but there is a "boiling mass" of real electrons and virtual positrons and electrons that by fluctuate change each other. That is, the chemical bond is actually a separate particle, as already mentioned, a semi-virtual particle. Moreover, this approach can be extended to the structure of elementary particles such as an electron or a positron: an elementary particle in this consideration is a fluctuating vacuum closed in a certain spatial bag, which is a potential well for these fluctuations.

It is especially worth noting that in this consideration, electrons are strongly interacting particles, and therefore the Pauli principle is not applicable to chemical bond (for more details, see the section "The Pauli Principle and the Chemical Bond") and does not prohibit the existence of the same three-electron bonds with a multiplicity of 1.5.

See pp. 88 - 104 Review (135 pages, full version). Benzene on the Basis of the Three-Electron Bond. (The Pauli exclusion principle, Heisenberg's uncertainty principle and chemical bond). http://vixra.org/pdf/1710.0326v3.pdf

Benzene on the basis of the three-electron bond:

Review (135 pages, full version). Benzene on the Basis of the Three-Electron Bond. (The Pauli exclusion principle, Heisenberg's uncertainty principle and chemical bond). http://vixra.org/pdf/1710.0326v3.pdf

1. Structure of the benzene molecule on the basis of the three-electron bond.
http://vixra.org/pdf/1606.0152v1.pdf

2. Experimental confirmation of the existence of the three-electron bond and theoretical basis ot its existence.
http://vixra.org/pdf/1606.0151v2.pdf

3. A short analysis of chemical bonds.
http://vixra.org/pdf/1606.0149v2.pdf

4. Supplement to the theoretical justification of existence of the three-electron bond.
http://vixra.org/pdf/1606.0150v2.pdf

5. Theory of three-electrone bond in the four works with brief comments.
http://vixra.org/pdf/1607.0022v2.pdf

6. REVIEW. Benzene on the basis of the three-electron bond (93 p.). http://vixra.org/pdf/1612.0018v5.pdf

7. Quantum-mechanical aspects of the L. Pauling's resonance theory.
http://vixra.org/pdf/1702.0333v2.pdf

8. Quantum-mechanical analysis of the MO method and VB method from the position of PQS.
http://vixra.org/pdf/1704.0068v1.pdf

9. Review (135 pages, full version). Benzene on the Basis of the Three-Electron Bond. (The Pauli exclusion principle, Heisenberg's uncertainty principle and chemical bond). http://vixra.org/pdf/1710.0326v3.pdf

Bezverkhniy Volodymyr (viXra): http://vixra.org/author/bezverkhniy_volodymyr_dmytrovych































Edited by chemist777 (12/15/17 07:39 PM)


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Re: chemistry, benzene on the basis of the three-electron bond [Re: chemist777]
    #24837215 - 12/10/17 09:53 AM (1 month, 8 days ago)

Notes on the chemical bond.

If we analyze the formation of the chemical bond (one-electron, many-electron) strictly theoretically, then it is difficult to understand the cause of the formation of the chemical bond. There are several problems here:

      1. When a chemical bond is formed, when the domain of "existence" of electrons actually decreases (the "volume" of the chemical bond (MO) is much smaller than the "volume" of the corresponding AO, this was emphasized by L. Pauling) in comparison with the original AO ((in other words , that the electron distribution function in a diatomic molecule is much more concentrated than in the case of atoms), the repulsion between electrons inevitably must increase significantly. And then according to Coulomb's law (F=f(1/r ^ 2)) this repulsion can not be compensated in any way This is also noted by L. Pauling, and we assume (pp. 88 - 89, Review. Benzene on the Basis of the Three-Electron Bond. (The Pauli Exclusion Principle, Heisenberg's Uncertainty Principle and Chemical Bond). ( http://vixra.org/pdf/1710.0326v2.pdf ) that he therefore analyzed the interaction of the hydrogen atom and the proton in the entire range of lengths (admitted that the hydrogen atom and H + are retained when approaching) and showed that the connection is not formed in this case (since there is no exchange interaction or Pauling resonance.) This actually showed that even a one-electron bond can not be explained only by the electro-magnetic interaction (that is, the classical approach), and if we go to many-electron bond (two-electron bond, three-electron bond, etc.) and take into account the repulsion between the bonding electrons, it becomes evident that the classical explanation (the electromagnetic approach) can not even provide a qualitative explanation of the cause of the formation of a chemical bond. It inevitably follows that the cause of the formation of a chemical bond can only be explained by quantum mechanics. Moreover, the chemical bond is a "pure" quantum-mechanical effect, in principle this is strictly indicated by the exchange interaction introduced by quantum mechanics, but not having the physical justification, that is, the exchange interaction is a purely formal, mathematical approach, which makes it possible at least some results. The fact that the exchange interaction has no physical meaning can be confirmed by the fact that the exchange integral essentially depends on the choice of the basis wave functions (more precisely, the overlap integral of the basis functions), and therefore, when choosing a certain basis, it can be less modulo, and even change sign on the reverse, which means that two atoms can not be attracted but repelled. In addition, the exchange interaction by definition can not be applied to the one-electron coupling, since there is no overlap integral since we have one electron (but Pauling's resonance can be applied to explain the one-electron bond).

2. In addition, using A. Einstein's theory of relativity, it can be shown that, in the motion of electrons, the field in a molecule can not by definition be a conservative field (pp. 90 - 92, http://vixra.org/pdf/1710.0326v2.pdf ). When describing the behavior of electrons in atoms or molecules, it is often (more precisely, almost always) assumed that the motion of electrons is in the average conservative field. But this is fundamentally not true (based on the theory of relativity), and therefore further assumptions are not theoretically rigorous. Moreover, this case (application of the theory of relativity to a chemical bond) directly indicates that it is only possible to explain the cause of the formation of a chemical bond by using jointly quantum mechanics and the theory of relativity of A. Einstein, which we will try to do (see below).                           

3. It is also especially worth noting that when analyzing the Pauli principle (pages 103-105, http://vixra.org/pdf/1710.0326v2.pdf ), it turned out that it can not be applied to chemical bonds, since the Pauli principle can be applied only to systems of weakly interacting particles (fermions), when one can speak (at least approximately on the states of individual particles). Hence it inevitably follows that the Pauli principle does not forbid the existence of three-electron bonds with a multiplicity of 1.5, which has a very important theoretical and practical significance for chemistry. In chemistry, a three-electron bond with a multiplicity of 1.5 is introduced, on the basis of which it is easy to explain the structure of the benzene molecule and many organic and inorganic substances (pp. 6-36, 53-72, http://vixra.org/pdf/1710.0326v2.pdf ).

4. It is shown (pp. 105 — 117, http://vixra.org/pdf/1710.0326v2.pdf ) that the main assumption of the molecular orbitals method (namely, that the molecular orbital can be represented like a linear combination of overlapping atomic orbitals) enters into an insurmountable contradiction with the principle of quantum superposition. It is also shown that the description of a quantum system consisting of several parts (adopted in quantum mechanics) actually prohibits ascribe in VB method to members of equation corresponding canonical structures.

5. See pp. 116 – 117, Quantum-Mechanical Analysis of the MO Method and VB Method from the Position of PQS.  http://vixra.org/pdf/1710.0326v2.pdf
«...Therefore, in order to "restore" the chemical bond in the corresponding equations and to exclude the inconsistency with the quantum superposition principle, it is necessary to not express MO in members of a linear combination of AO, but postulate the existence of MO as a new fundamental quality that describes a specific chemical bond and is not derived from simpler structural elements. Then we will "return" the chemical bond to the calculation methods and possibly significantly simplify the quantum chemical calculations. This is due to the fact that the energy of the chemical bonds is well known, and since the MO will describe the chemical bond (and the chemical bond energy is known), it will be easy to calculate the MO energy simply by substraction the chemical bond energy from the AO energy.

Since the chemical bond is the result of the interaction of fermions and they interact [84] according to the Hückel rule (4n + 2) (or 2n, n - unpaired), we can schematically depict molecular orbitals similarly to atomic orbitals. The number of electrons according to Hückel's rule will be: 2, 6, 10, 14, 18, …

Accordingly, the molecular orbitals of the chemical bond are denoted as follows:

MO (s) is a molecular s-orbital, 1 cell, can contain up to 2 electrons.

MO (p) is a molecular p-orbital, 3 cells, can contain up to 6 electrons.

MO (d) - molecular d-orbital, 5 cells, can contain 10 electrons.

MO (f) is a molecular f-orbital, 7 cells, can contain up to 14 electrons.

MO (g) is a molecular g-orbital, 9 cells, can contain up to 18 electrons.

Then the usual single bond will be described by the molecular s-orbitale (MO(s)).

        To describe the double bond, we need to assume that it is formed from two equivalent single bonds (as pointed out by L. Pauling [85]), and is then described by two molecular s-orbitals (2 MO(s)).

The triple bond will be described by a molecular p-orbital (MO (p)), then all six electrons of the triple bond will occupy one molecular p-orbit, which very well explains the difference between acetylene and ethylene (meaning C-H acidity).

In benzene 18 - electronic cyclic system can occupy one molecular g-orbital (MO(g))...».

Taking into account the above reasoning about the chemical bond, we can say that modern concepts of the chemical bond can not be strictly theoretically fair, but rather qualitative with empirical quantitative calculations. Using quantum mechanics, namely the Heisenberg uncertainty principle and A. Einstein's theory of relativity, one can explain the reason for the formation of a chemical bond (pp. 92 - 103 http://vixra.org/pdf/1710.0326v2.pdf ), and understand how electrons form a chemical bond , and how the binding process itself in the molecule. It should be noted that the chemical bond is in fact a separate particle (a fermion or a boson depending on the number of electrons), which we called a semi-virtual particle (pp. 41 - 43, http://vixra.org/pdf/1710.0326v2.pdf ), which exists indefinitely long in a particular molecule.


Review (135 pages, full version). Benzene on the Basis of the Three-Electron Bond. (The Pauli exclusion principle, Heisenberg's uncertainty principle and chemical bond). http://vixra.org/pdf/1710.0326v3.pdf

Bezverkhniy Volodymyr (viXra): http://vixra.org/author/bezverkhniy_volodymyr_dmytrovych

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Edited by chemist777 (12/15/17 07:35 PM)


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Re: chemistry, benzene on the basis of the three-electron bond [Re: chemist777]
    #24843149 - 12/13/17 03:30 AM (1 month, 5 days ago)

I will add a little about L.Poling's theory of resonance.

It is important to understand that there are no resonance structures in reality, and the resonance theory is simply a very convenient and intuitive model for describing benzene. The concept of "resonance" (in L. Pauling's theory of resonance) does not imply a really occurring resonance between the Kekule structures, it is just a good name for the theory. Successful, because it clearly indicates that at the resonance of the Kekule structures a real molecule of benzene is formed, which has an electronic structure intermediate between them (Kekule structures). And most importantly, I especially note that the real structure of benzene will have energy below the energy of the Kekule structures (that is why the "resonance theory" is a decrease in the energy of the system, and as it is known at real resonance (as a physical process), one can say " ejection "of energy). This also applies to chemical bonds.

L. Pauling, the theory of resonance extended not only to benzene, but also to chemical bonds (see “Pauling L. Nature of the chemical bond». Translated from english by M.E. Dyatkina under the guidance of professor Y.K. Sirkin. State Scientific and Technical Publishing House of Chemical Literature. Moscow, Leningrad, 1947), in fact it was the only systematic approach to describing the chemical bond. And despite the fact that in a strictly theoretical analysis (within the framework of quantum mechanics) the resonance theory contradicts the principle of quantum superposition, the idea of resonance (that is, the idea of a real physical process) as an approach for studying the chemical bond is very successful and fruitful. Since it is precisely the idea of resonance that clearly indicates that in the formation of a chemical bond there must be a "zest", that is, a real physical process that leads to the release of energy (binding energy). The classical, modern representation of the chemical bond, in fact, ignores the physical justification of the chemical bond. From modern ideas, there is no reason why energy should be released when a chemical bond is formed. Conversely, with the concentration of electrons in the inter-nuclear region, that is, when a chemical bond is formed, it is logical to expect an increase in the energy of the system (the Coulomb repulsion between electrons increases). Moreover, some physicists (or quantum chemists) generally deny the existence of a chemical bond between two atoms and believe that the chemical bond is a successful concept for non-physicists on the binding of atoms. Naturally, chemists categorically disagree with this, although they understand the reasons for such a perception of the chemical bond.

It is worth noting that Heisenberg first used the concept of resonance in quantum mechanics to study the quantum states of helium (W. Heizenberg, Z. Phys. 39, 499 (1926)).

L. Pauling spent one year (1926-1927) spent in Europe, in the alma of the mother of quantum mechanics. He actually studied quantum mechanics at A. Sommerfeld (Munich) and at the seminars of E. Schrödinger (Zurich), and the great physicists who stood at the origins of quantum mechanics had a profound influence on him. After this brief (only 1 year) business trip, L.Pauling understood that only quantum mechanics could be the theoretical basis for understanding the chemical bond. Moreover, now it is obvious, the physical essence, the physical substantiation of various processes for it became vital, therefore in the future the theory of resonance was born. Here some explanations are needed.

In the 20-30s of the 20th century, after the birth of quantum mechanics, many great physicists tried to solve the problem of chemical bonding. But all their attempts were unsuccessful, or rather not very successful. But this should not be taken as a failure, on the contrary, they clearly indicated the problem: if the reason for the formation of a chemical bond is explained by a real physical process (obviously, it should be so), then an acceptable solution could not be found. Moreover, the creation of MO and VB methods, and in fact the introduction of exchange interaction in chemistry to explain the chemical bond, did not solve this problem, since the exchange interaction has no physical meaning, it is a "purely" formal approach, and this is well known in quantum mechanics. In addition, both the MO method and the VB method, and, naturally, the exchange interaction contradict the principle of quantum superposition, that is, quantum mechanics itself, see pp. 3 - 7 http://vixra.org/pdf/1704.0068v1.pdf (Quantum-Mechanical Analysis of the MO Method and VB Method from the Position of PQS. And most importantly, these formal methods do not contain conceptual ideas for solving the problem of chemical bonding.

The resonance theory is a "pure" chemical theory, the idea of which implies that there must be a physical process (real), which is the reason for the formation of a chemical bond, we assume that therefore Pauling called the theory "resonance theory". And there is no doubt that only this approach will lead to a full understanding of the chemical bond. For this, it is necessary to simultaneously apply quantum mechanics and the theory of relativity of A. Einstein (see pp. 92 - 103, http://vixra.org/pdf/1704.0068v1.pdf "Review., Benzene on the Basis of the Three-Electron Bond. (The Pauli Exclusion Principle, Heisenberg's Uncertainty Principle and Chemical Bond). Probably this is the only way (the combination of quantum mechanics and the theory of relativity), not very simple, but perhaps the only one that will lead to an understanding of both chemical and many physical processes.

How successful is the application of the concept of a real physical process can be demonstrated by the following example. In 1935, in an article by Linus Pauling, L. O. Brockway and J. Y. Beach entitled "The Dependence of interatomic distance on single bond-double bond resonance", the multiplicity of the bond in benzene was found to be 1.5 (based on two Kekule structures). But this way of calculating Pauling within the framework of the theory of resonance in 1937 was criticized by William Penney (English mathematician and professor of mathematical physics at the Imperial College London). The essence of the objections is the following: if the multiplicity of the bond in benzene is 1.5, then it follows logically that the heats of formation of benzene and cyclohexatriene (or one of the "resonant" Kekule structures) also coincide, which contradicts the resonance theory (the real benzene molecule should have a lower energy) . From this it follows logically that the multiplicity in benzene should be greater than 1.5 and W. G. Penney received the number 1.62.

As we can see, the concept of a real physical process (since it is a decrease in the energy of a real benzene molecule) led to the understanding that the multiplicity of the bond in benzene should be greater than 1.5, which was shown by quantum chemical calculations (1.67). The concept of three-electron coupling explains why there is an increase in the multiplicity: this is a consequence of the interaction of two three-electron bonds on opposite sides of benzene (with different spins), benzene just "shrinks, decreases" a little. Calculations give a multiplicity of 1.66 (three-electron coupling, see pages 16-19 of http://vixra.org/pdf/1710.0326v2.pdf "Review. Benzene on the Basis of the Three-Electron Bond ..."). If we logically think, then the concept of three-electron coupling follows from the theory of resonance: the resonance of two Kekule structures "creates" a real molecule of benzene with the distribution of electrons averaged between the Kekule structures, that is, we actually get benzene with three-electron bonds.

See new theoretical model of the chemical bond is proposed based on the Heisenberg uncertainty principle pp. 92 - 103 Review (127 pages, full version). Benzene on the Basis of the Three-Electron Bond. (The Pauli exclusion principle, Heisenberg's uncertainty principle and chemical bond).
http://vixra.org/pdf/1710.0326v2.pdf

Benzene on the basis of the three-electron bond:

Review (135 pages, full version). Benzene on the Basis of the Three-Electron Bond. (The Pauli exclusion principle, Heisenberg's uncertainty principle and chemical bond). http://vixra.org/pdf/1710.0326v3.pdf

1. Structure of the benzene molecule on the basis of the three-electron bond.
http://vixra.org/pdf/1606.0152v1.pdf

2. Experimental confirmation of the existence of the three-electron bond and theoretical basis ot its existence.
http://vixra.org/pdf/1606.0151v2.pdf

3. A short analysis of chemical bonds.
http://vixra.org/pdf/1606.0149v2.pdf

4. Supplement to the theoretical justification of existence of the three-electron bond.
http://vixra.org/pdf/1606.0150v2.pdf

5. Theory of three-electrone bond in the four works with brief comments.
http://vixra.org/pdf/1607.0022v2.pdf

6. REVIEW. Benzene on the basis of the three-electron bond (93 p.). http://vixra.org/pdf/1612.0018v5.pdf

7. Quantum-mechanical aspects of the L. Pauling's resonance theory.
http://vixra.org/pdf/1702.0333v2.pdf

8. Quantum-mechanical analysis of the MO method and VB method from the position of PQS.
http://vixra.org/pdf/1704.0068v1.pdf

9. Review (135 pages, full version). Benzene on the Basis of the Three-Electron Bond. (The Pauli exclusion principle, Heisenberg's uncertainty principle and chemical bond). http://vixra.org/pdf/1710.0326v3.pdf

Bezverkhniy Volodymyr (viXra):http://vixra.org/author/bezverkhniy_volodymyr_dmytrovych

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Edited by chemist777 (12/15/17 07:33 PM)


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