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Journal of Physical Chemistry & Biophysics

Electron as a Wave: An Activating Messenger. Beyond their Bouncing Electronic Objects Representation, Could it be that Reactive Molecules Behave as Wave-Interconnected Objects?

Chanon Miche

Published Jan 1, 2016• 0 citations
Publisher

Abstract

In this paper, a new mechanism explaining chemical reactions is proposed. The statistical process of “bouncing” molecules is completed by a matching procedure between wave-compatible molecules. This mechanism is elaborated in the light of the wave-particle duality of quantum physics, a property not as much used in chemistry as it has been in other domains, despite the advances permitted by Schrodinger’s equation. Numerical values for the hydrogen atom illustrate the mechanism which is then applied to offer a new representation of reactions between molecules. This representation converges with the HOMO LUMO approaches of reactivity. The concept could help in narrowing the gap between chemistry and biology.

DOI
10.4172/2161-0398.1000212

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In this paper, a new mechanism explaining chemical reactions is proposed. The statistical process of “bouncing” molecules is completed by a matching procedure between wave-compatible molecules. This mechanism is elaborated in the light of the wave-particle duality of quantum physics, a property not as much used in chemistry as it has been in other domains, despite the advances permitted by Schrodinger’s equation. Numerical values for the hydrogen atom illustrate the mechanism which is then applied to offer a new representation of reactions between molecules. This representation converges with the HOMO LUMO approaches of reactivity. The concept could help in narrowing the gap between chemistry and biology.
The wave-particle duality is a fundamental property of the nature. At the same time, it is one of the greatest mysteries of modern physics. This gave rise to a whole direction in quantum physics - the interpretation of quantum mechanics. The Wiener experiments demonstrating the wave-particle duality of light are discussed. It is shown that almost all interpretations of quantum mechanics allow explaining the double-slit experiments, but are powerless to explain the Wiener experiments. The reason of the paradox, associated with the wave-particle duality is analyzed. The quantum theory consists of two independent parts: (i) the dynamic equations describing the behavior of a quantum object (for example, the Schrodinger or Maxwell equations), and (ii) the Born’s rule, the relation between the wave function and the probability of finding the particle at a given point. It is shown that precisely the Born’s rule results in paradox in explaining the wave-particle duality. In order to eliminate this paradox, we propose a new rational interpretation of the wave-particle duality and associated new rule, connecting the corpuscular and wave properties of quantum objects. It is shown that this new rational interpretation of the wave-particle duality allows using the classic images of particle and wave in explaining the quantum mechanical and optical phenomena, does not result in paradox in explaining the doubleslit experiments and Wiener experiments, and does not contradict to the modern quantum mechanical concepts. It is shown that the Born’s rule follows immediately from proposed new rules as an approximation.
The simplest but deepest questions of the philosophy of quantum mechanics are these: Are quantum systems waves, or are they particles? Are they both or are they neither? When light bounces an electron out of the surface of an alkali metal it behaves like a particle. Light carries momentum but also a punch. Just as there is no such thing as half a punch, so there is no such thing as half a quantum of light. On the other hand, the shadow formed on a screen by an object has soft edges, edges which get softer as the object is moved away from the screen. Light exhibits the phenomena of diffraction and interference and so is wavelike. This dual behaviour of light, and indeed of matter itself, is called wave-particle duality. The wave nature of a quantum system is reflected in wave mechanics which assigns a wave-function to the system. But the dual nature of light was noticed before Schrodinger developed the wave-mechanical formalism in 1926. In fact, it goes back at least as far as Einsteins explanation of the photoelectric effect in 1905. Wave-particle duality is not something that arises within the quantum mechanical formalism. It is something which is expressed within it, and is something which is best discussed in terms of the paradoxes that quantum experiments force upon physics. In fact, the simplest and most immediately disturbing of the quantummechanical paradoxes arise out of wave-particle duality. We take the two-slit experiment and the delayed-choice experiment as examples.
The applicability of the time-dependent Schrödinger equation to molecular reaction dynamics is discussed from several perspectives. First, with reference to Schrödinger's original paper, we point out that he himself stated that what is now called the time-dependent Schrödinger equation is insufficient to solve the problems of non-conservative systems like chemical reactions. Second, the detonation velocity of some explosives has been demonstrated as a new parameter that directly illustrates the timescales of elementary chemical reactions. The calculated values of ~30 fs are in good agreement with the timescale of 10–100 fs for chemical reactions, as experimentally demonstrated by the Nobel laureate Zewail. Third, we consider the state of an electron in a box when the length of the box suddenly increases from L to 2L, which is often found in textbooks as the simplest example of the application of the time-dependent Schrödinger equation to chemical reactions, and highlight the inconsistency between this model and an actual chemical reaction. Finally, we re-iterate that only quantum steady states can be accurately described by the Schrödinger equation and that it is the most natural to connect changes between adjacent quantum steady states by the variational principle.
The water molecule and a hydrogenic abstraction reaction are used to explore in detail some quantum entanglement features of chemical interest. We illustrate that the energetic and quantum-information approaches are necessary for a full understanding of both the geometry of the quantum probability density of molecular systems and the evolution of a chemical reaction. The energy and entanglement hypersurfaces and contour maps of these two models show different phenomena. The energy ones reveal the well-known stable geometry of the models, whereas the entanglement ones grasp the chemical capability to transform from one state system to a new one. In the water molecule the chemical reactivity is witnessed through quantum entanglement as a local minimum indicating the bond cleavage in the dissociation process of the molecule. Finally, quantum entanglement is also useful as a chemical reactivity descriptor by detecting the transition state along the intrinsic reaction path in the hypersurface of the hydrogenic abstraction reaction corresponding to a maximally entangled state.
Quantum mechanics is a theory to explain and predict the behavior of particles such as electrons, protons, neutrons, atomic nuclei, atoms, and molecules, as well as the photon–the particle associated with electromagnetic radiation or light. From quantum theory we obtain the laws of chemistry as well as explanations for the properties of materials, such as crystals, semiconductors, superconductors, and superfluids. Applications of quantum behavior give us transistors, computer chips, lasers, and masers. The relatively new field of molecular biology, which leads to our better understanding of biological structures and life processes, derives from quantum considerations. Thus, quantum behavior encompasses a large fraction of modern science and technology. Quantum theory was developed during the first half of the twentieth century through the efforts of many scientists. In 1926, E. Schrödinger interjected wave mechanics into the array of ideas, equations, explanations, and theories that were prevalent at the time to explain the growing accumulation of observations of quantum phenomena. His theory introduced the wave function and the differential wave equation that it obeys. Schrödinger's wave mechanics is now the backbone of our current conceptional understanding and our mathematical procedures for the study of quantum phenomena. Our presentation of the basic principles of quantum mechanics is contained in the first three chapters. Chapter 1 begins with a treatment of plane waves and wave packets, which serves as background material for the subsequent discussion of the wave function for a free particle.