Chemically induced dynamic nuclear theory

The first discovery of chemically induced dynamic electron polarization (CIDEP) was made by Fessenden and Schuler in 1963 (58). These authors observed the abnormal spectra of the H atoms produced during the irradiation of liquid methane. The low-field line in the esr spectrum was inverted compared to the corresponding high-field line. The related chemically induced dynamic nuclear polarization effect (CIDNP) was reported independently four years later by Bargon et al. (22) and by Ward and Lawler (134). Because of the wider application of nmr in chemistry, the CIDNP effect immediately attracted considerable theoretical and experimental attention, and an elegant theory based on a radical-pair model (RPM) was advanced to explain the effect. The remarkable development of the radical-pair theory has obviously brought cross-fertilization to the then-lesser-known CIDEP phenomenon. 

Radical pair theory states that the rate of 5 - To mixing is directly related to the nuclear spin configuration through the hyperflne interaction, which in turn determines the recombination yield. The nuclear spin polarisation generated in both the recombined and escaped products is known as chemically induced dynamic nuclear polarisation [6, 31-33]. 

A critical issue crossing all boundaries is the interaction of matter and radiation. Spectroscope experiments are used as both structural and dynamic probes and to initiate chemical processes (as in photochemistry and laser-induced chemistry), and such experiments must be understood theoretically. There are also many subfields of theoretical chemistry—for example, biomedical structure-activity relationships, the molecular theory of nuclear magnetic resonance spectra, and electron-molecule scattering—that fit into two or more of the areas listed. 

Based on the ab initio theory of complex electronic ground state of superconductors, it can be concluded that e-p coupling in superconductors induces the temperature-dependent electronic structure instability related to fluctuation of analytic critical point (ACP - maximum, minimum or saddle point of dispersion) of some band across FL, which results in breakdown of the adiabatic BOA. When ACP approaches FL, chemical potential Pad is substantially reduced to IJ-antiadilJ-ad > Pantiad < b(o). Under these circumstances the system is stabilized, due to the effect of nuclear dynamics, in the antiadiabatic state at broken symmetry with a gap in one-particle spectrum. Distorted nuclear structure, which is related to couple of nuclei in the phonon mode r that induces transition into antiadiabatic state, has fluxional character. It has been shown that until system remains in antiadiabatic state, nonadiabatic polaron - renormalized phonon interactions are... 

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