Физика Низких Температур: Том 47, Выпуск 4 (Апрель 2021), c. 348-354 ( к оглавлению , назад )
Conformational composition of 1-butanol in matrix isolation
I. Doroshenko1, Ye. Vaskivsky2, Ye. Chernolevskaya2, and O. Doroshenko1
1Taras Shevchenko National University of Kyiv, Kyiv 01601, Ukraine
2Jozsef Stefan Institute, Ljubljana SI-1000, Slovenia
Received June 26, 2020, revised November 20, 2020, published online February 26, 2021
IR absorption spectra of 1-butanol isolated in an argon matrix were obtained at temperatures from 10 to 50 K. The conformational behavior of 1-butanol was analyzed using the results of quantum-chemical simulation of the structure and vibrational spectra of its small clusters. We studied the conformational composition of 1-butanol in matrix isolation and showed the transformation of its structure that occurs with an increase in the matrix temperature.
Key words: butanol, conformer, matrix isolation, infrared absorption.