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Autocorrelation analysis of absorption spectra of electromagnetic radiation by molecules of polycyclic compounds in petahertz region

Keywords:

E.A. Kovaleva – Ph. D. (Chem.), Associate Professor, Ufa State Petroleum Technological University E-mail: kovaleva-ugntu@yandex.ru M.Yu. Dolomatov – Dr. Sc. (Chem.), Professor, Physico-Technical Institute of Bashkir State University (Ufa) E-mail: mdolomatov@bk.ru


Considered statistical Radiophysics approach to the study of the electronic absorption spectra of the electromagnetic radiation of complex molecular systems, molecules of polycyclic compounds. The energy spectrum of the molecule presented in the form of the autocorrelation function, frequency-dependent electronic transitions. The autocorrelation function gives a measure of dependence be-tween two States of the molecule. Under this approach to establish a relation between the ionization potentials, electron affinity relative to the empirical autocorrelation parameter μ, which is equal to the ratio of the energy spectrum in the ultraviolet region to the energy of the whole electronic spectrum. In a logarithmic coordinate system, μ is the parameter characterizes the ratio of the magnitude of the absorption of electromagnetic energy in which the absorption process. Was correlated with the ionization potentials and the parameter μ of all studied polycyclic aromatic compounds. The correlation between the electron affinity and the parameter μ indicates the possibility of estimating the electron affinity without resorting to the complicated experiment and quantum chemical calculations. The equations of the linear regressions obtained theoretical values of the ionization potentials and electron affinity.
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