Publication
Title
The CH...π interaction in the halothane/ethene complex: a cryosolution infrared and Raman study
Author
Abstract
The formation of a CHð bonded complex between halothane, CF3CHBrCl, and ethene has been studied in liquid krypton in the temperature range between 119 and 143 K, using infrared and Raman spectroscopy. The standard complexation enthalpy of the 1:1 complex was measured to be −5.0(2) kJ mol−1. The stretching mode of the CH bond involved in the formation of the complex was observed to red shift by 7.2(1) cm−1, while its intensity increased by a factor of 2.1(2). The results are compared with ab initio calculations at the MP2/6-311++G(d,p) and MP2/aug-cc-PVXZ (X = D, T and Q) levels.
Language
English
Source (journal)
Chemical physics letters. - Amsterdam
Publication
Amsterdam : 2009
ISSN
0009-2614
Volume/pages
469(2009), p. 85-89
ISI
000262801400017
Full text (Publisher's DOI)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 28.01.2009
Last edited 13.07.2017
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