Abstract
We are introducing briefly to the new theory of “quantum” transitions in molecular and chemical physics — quantum-classical mechanics, in which an electron behaves dynamically in two ways: both as a quantum and as a classical elementary particle. Namely, in the initial and final adiabatic states of molecular “quantum” transitions, the light electron exhibits its quantum properties. On the contrary, in the transient molecular state, the electron, provoking the so-called dozy chaos in the vibrational motion of very heavy nuclei “in order” to shift the equilibrium positions of their vibrations to new positions corresponding to the new distribution of the electron charge, because of the continuous energy spectrum in the transient state, manifests itself as a classical elementary particle. The article discusses mainly studied and some promising applications of the organizing role of an electron in nature. Among the well-studied applications, the quantum-classical organization of optical absorption band shapes in polymethine dyes and their J-aggregates is discussed. For example, the well-known narrow and intense J-band of J-aggregates is one of the striking examples of the implementation of the so-called Egorov resonance, in which the motion of the reorganization of the nuclei of the environmental medium significantly contributes to the electron transition in the optical pi-electron chromophore of J-aggregates. This effect can also be interpreted as the transfer of dozy chaos from the peak of the J-band into its wing by a chaotic motion of the quantum-classical pi-electron state of the J-chromophore. The dynamic role of the quantum-classical electron in the joint organization of the absorption and luminescence spectra, and an extension of quantum-classical mechanics to nonlinear optical processes are discussed. The probable leading role of quantum-classical electrons in the evolution of molecular matter and possibility of applications of quantum-classical mechanics to the study of cancer and viruses are discussed as a future research perspective.
Highlights
In Ref. 1, a critical revision of modern physical concepts about the dynamics of molecular quantum transitions based on quantum mechanics is carried out, and a fundamentally new physical theory having universal nature — quantum-classical mechanics — is proposed
As it follows from the above, future research should focus on generalizing quantum-classical mechanics to nonlinear optical processes, in particular, two-photon absorption spectra of polymethine dyes and J-aggregates, which will make it possible to rationalize, for example, a series of experimental studies in the field of bioimaging [44,45,46,47] and photodynamic therapy [48, 49]
From the point of view of theoretical physics, it is of interest to formulate quantum-classical mechanics in which the initial Hamiltonian is Hermitian [1], as in the well-known theory of multiphonon transitions [41], in the language of non-Hermitian Hamiltonians
Summary
In Ref. 1, a critical revision of modern physical concepts about the dynamics of molecular quantum transitions based on quantum mechanics is carried out, and a fundamentally new physical theory having universal nature — quantum-classical mechanics — is proposed. The J-band effect in J-aggregates is a significant enhancement of the Egorov resonance that we have in a series of polymethine dye monomers (see Figure 3, where the resonance band with n = 3 is the J-band for the monomer) [1, 9, 13, 14, 24] Such an increase is caused by an increase in the interaction of the quantum-classical electron transition [1, 26] with the motion of environmental nuclei due to. Other cases of the interaction of electron dynamics with exciton dynamics when taking into account dozy chaos, which are realized for dimers (D) and H-aggregates (Figure 5), are considered in Refs. 8, 9
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