Davydov splitting in adsorbates: manifestations of electronic molecular polarizabilities

Aleksei V. Snigur; Viktor M. Rozenbaum

doi:10.1117/12.569810

20 July 2004 Davydov splitting in adsorbates: manifestations of electronic molecular polarizabilities

Aleksei V. Snigur, Viktor M. Rozenbaum

Proceedings Volume 5507, XVI International Conference on Spectroscopy of Molecules and Crystals; (2004) https://doi.org/10.1117/12.569810
Event: XVI International Conference on Spectroscopy of Molecules and Crystals, 2003, Sevastopol, Ukraine

Abstract

Spectroscopic characteristics of Davydov-split spectra of orientationally ordered adsorbate monolayer are considered. An appropriate generalizatibn and improvement of the existing theory are provided taking into account the electronic component of molecular polarizability. Formulae for integral intensities and frequencies of split spectral lines are presented as a result of the analytically solved equation for the polarizability tensor of the system. These formulae are exemplified by the adsorbed 2x 1 CO/NaC1 (100) monolayer. It is shown that consideration of the electronic component of polarizability reduces the discrepancy between the calculated and experimental Davydov splitting values from 25%to 5%.

Citation Download Citation

Aleksei V. Snigur and Viktor M. Rozenbaum "Davydov splitting in adsorbates: manifestations of electronic molecular polarizabilities", Proc. SPIE 5507, XVI International Conference on Spectroscopy of Molecules and Crystals, (20 July 2004); https://doi.org/10.1117/12.569810

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