Cite this article as:

Berezin K. V., Nechaev V. V., Kozlov O. ., Novoselova A. V., Chernavina M. L., Berezin V. I., Berezina M. ., Novoselov V. V. The Manifestation’s Research of the Pair Association in the Pyridine’s Ir-Spectrums by the Matrix Isolation Technique. Izvestiya of Saratov University. New series. Series Physics, 2015, vol. 15, iss. 1, pp. 14-20.


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UDC: 
539.182/.184, 519.677
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Russian

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

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 characteris-tics of complexes formation taking into account a basic peak-a-boo mistake are calculated.

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