Результаты исследований: Научные публикации в периодических изданиях › статья
Effect of resonance dipole-dipole interaction on spectra of adsorbed SF6 molecules. / Dobrotvorskaia, A.N.; Kolomiitsova, T.D.; Petrov, S.N.; Shchepkin, D.N.; Smirnov, K.S.; Tsyganenko, A.A.
в: Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Том 148, № 271–279, 2015, стр. 271-279.Результаты исследований: Научные публикации в периодических изданиях › статья
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TY - JOUR
T1 - Effect of resonance dipole-dipole interaction on spectra of adsorbed SF6 molecules.
AU - Dobrotvorskaia, A.N.
AU - Kolomiitsova, T.D.
AU - Petrov, S.N.
AU - Shchepkin, D.N.
AU - Smirnov, K.S.
AU - Tsyganenko, A.A.
PY - 2015
Y1 - 2015
N2 - © 2015 Elsevier B.V. All rights reserved.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.
AB - © 2015 Elsevier B.V. All rights reserved.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.
U2 - 10.1016/j.saa.2015.04.002
DO - 10.1016/j.saa.2015.04.002
M3 - Article
VL - 148
SP - 271
EP - 279
JO - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
JF - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
SN - 1386-1425
IS - 271–279
ER -
ID: 3977766