FTIR cryospectroscopic and ab initio studies of desflurane-dimethyl ether H-bonded complexes

被引：8

作者：

Melikova, S. M. ^{[1
]}

Rutkowski, K. S. ^{[1
]}

Rospenk, M. ^{[2
]}

机构：

[1] St Petersburg State Univ, Dept Phys, 7-9 Univ Skaya Nab, St Petersburg 199034, Russia

[2] Univ Wroclaw, Fac Chem, Joliot Curie 14, PL-50383 Wroclaw, Poland

来源：

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY | 2017年 / 184卷

关键词：

Infrared spectra; Desflurane; Dimethyl ether; Liquid Kr; H-bond; Blue shift; Ab initio calculations; BLUE-SHIFTED F3CH-CENTER-DOT-CENTER-DOT-CENTER-DOT-FCD3; UNUSUAL INTENSITY CHANGES; INFRARED-SPECTRA; VIBRATIONAL-SPECTRA; ENFLURANE; CRYOSOLUTION; ANESTHETICS;

D O I：

10.1016/j.saa.2017.04.084

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

The IR spectra of mixtures of desflurane and dimethyl ether are studied with the help of FTIR cryospectroscopy in liquefied Kr at T similar to 118-158 K. Comparative analysis of the experimental data and results of ab initio calculations show that either of the two C-H groups of desflurane is involved in heterodimer formation of comparable strengths. The blue frequency shift is found for stretching vibrations of those C-H donors which directly participate in H-bond formation. Additionally the complexes are stabilized by weaker contacts between hydrogen atoms of dimethyl ether and fluorine atoms of desflurane. (C) 2017 Elsevier B.V. All rights reserved.

引用

页码：163 / 168

页数：6

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