Effect of resonance dipole-dipole interaction on spectra of adsorbed SF6 molecules

Anna N Dobrotvorskaia; Tatiana D Kolomiitsova; Sergey N Petrov; Dmitriy N Shchepkin; Konstantin S Smirnov; Alexey A Tsyganenko

doi:10.1016/j.saa.2015.04.002

Effect of resonance dipole-dipole interaction on spectra of adsorbed SF6 molecules

Spectrochim Acta A Mol Biomol Spectrosc. 2015 Sep 5:148:271-9. doi: 10.1016/j.saa.2015.04.002. Epub 2015 Apr 11.

Authors

Anna N Dobrotvorskaia¹, Tatiana D Kolomiitsova², Sergey N Petrov², Dmitriy N Shchepkin², Konstantin S Smirnov³, Alexey A Tsyganenko²

Affiliations

¹ Department of Physics, St. Petersburg State University, St. Petersburg 198504, Russia. Electronic address: a.dobrotvorskaya@spbu.ru.
² Department of Physics, St. Petersburg State University, St. Petersburg 198504, Russia.
³ Universite des Sciences et Technologies de Lille, Villeneuve d'Ascq Cedex, 59655, France.

PMID: 25897721
DOI: 10.1016/j.saa.2015.04.002

Abstract

Adsorption of SF6 on zinc oxide and on silicalite-1 was investigated by a combination of IR spectroscopy with the calculations of spectra by means of a modernized model, developed previously for liquids. Comparison of the experimental spectra and the results of modeling shows that the complex band shapes in spectra of adsorbed molecules with extremely high absorbance are due to the strong resonance dipole-dipole interaction (RDDI) rather that the surface heterogeneity or the presence of specific surface sites. Perfect agreement between calculated and observed spectra was found for ZnO, while some dissimilarity in band intensities for silicalite-1 was attributed to complicated geometry of molecular arrangement in the channels.

Keywords: Adsorption; Dipole–dipole interaction; Dynamic interaction; SF(6); Silicalite; ZnO.

Publication types

Research Support, Non-U.S. Gov't