The manifestation’s research of the pair association in the pyridine’s IR-spectrums by the matrix isolation technique

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 isolation 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-associates brought 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 $H_5$ $D_5$ pyridine absorption is offered. Thermodynamic characteristics of complexes formation taking into account a basic peak-a-boo mistake are calculated.