Optics and Spectroscopy
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The study of noncovalent interactions between sevoflurane and acetone in liquefied Xe by the method of IR spectroscopy
Melikova S. M.
1, Rutkowski K.S.
1
1St. Petersburg State University, St. Petersburg, Russia
Email: s.melikova@spbu.ru, k.rutkovsky@spbu.ru
The IR spectra of sevoflurane + acetone mixtures in liquefied Xe were studied at T ~ 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 CH2 groups is formed due to anharmonic effects, specifically Fermi resonances. Keywords: cryospectroscopy, sevoflurane, acetone, complex, noncovalent interactions, quantum-mechanical calculations.
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