Izvestiya of Saratov University.

Physics

ISSN 1817-3020 (Print)
ISSN 2542-193X (Online)


For citation:

Berezin K. V., Nechaev V. V., Kozlov O. V., Novoselova A. V., Chernavina M. L., Berezin V. I., Berezin M. K., Novoselov V. V. The Manifestation’s Research of the Pair Association in the Pyridine’s Ir-Spectrums by the Matrix Isolation Technique. Izvestiya of Sarat. Univ. Physics. , 2015, vol. 15, iss. 1, pp. 14-20. DOI: 10.18500/1817-3020-2015-15-1-14-20

This is an open access article distributed under the terms of Creative Commons Attribution 4.0 International License (CC-BY 4.0).
Published online: 
06.03.2015
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Russian
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Article
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539.182/.184, 519.677

The Manifestation’s Research of the Pair Association in the Pyridine’s Ir-Spectrums by the Matrix Isolation Technique

Autors: 
Berezin Kirill Valentinovich, Saratov State University
Nechaev Vladimir Vladimirovich, Saratov State University
Kozlov Oleg Vadimovich, Saratov State University
Novoselova Anna Vladimirovna, Saratov State University
Chernavina Mariya Leonidovna, Saratov State University
Berezin Valentine Ivanovich, Saratov State University
Berezin Maxim Kirillovich, Saratov State University
Novoselov Vladimir Vladimirovich, Saratov State University
Abstract: 

The calculation of structure, frequencies of normal fluctuations and the strips intensity in IR-spectrums of five dimer of pyridine with hydrogen communication  has been performed by the matrix solation technique B3LYP/6-311+G (d, p). The number’s modeling of the difficult oscillatory contours in the pyridine’s IR-spectrum was executed taking into account the intermolecular interaction. It is shown that the hydrogen communications of the pair self-associatesthe brought the big contribution to formation of strips of the satellites complicating structure of oscillatory strips of monomeric pyridine  in the matrix-isolated low-temperature IR-spectrum. The detailed interpretation of the low-temperature matrix isolated IR-spectrum of H5  D5 pyridine absorption is offered. Thermodynamic characteristics of complexes formation taking into account a basic peak-a-boo mistake are calculated.

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Received: 
10.11.2014
Accepted: 
03.02.2015
Published: 
06.03.2015