Spectroscopy of condensed matter

The study of noncovalent interactions between sevoflurane and acetone in liquefied Xe by the method of IR spectroscopy

S. M. Melikova, K. S. Rutkovskii

Saint Petersburg State University, St. Petersburg, Russia

Abstract: The IR spectra of sevoflurane + acetone mixtures in liquefied Xe were studied at $T\sim$ 165–190 K. Complex formation stabilized by noncovalent interactions of weak H-bond type has been identified on the basis of changes found at selected bands of both components. Quantum-chemical calculations made on MP2/6-311++G(d,p) level, show that the spectrum in the region of stretching vibrations of CH and CH$_2$ groups is formed due to anharmonic effects, specifically Fermi resonances.

Keywords: cryospectroscopy, sevoflurane, acetone, complex, noncovalent interactions, quantum-mechanical calculations.

Received: 31.08.2022
Revised: 31.08.2022
Accepted: 06.09.2022

DOI: 10.21883/OS.2022.11.53771.4071-22

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