|
Title
|
|
|
|
(X = S, P) hydrogen bonding : the complexes of halothane with dimethyl sulfide and trimethylphosphine
|
|
|
Author
|
|
|
|
|
|
|
Abstract
|
|
|
|
| The formation of CH⋯S and CH⋯P hydrogen bonded complexes of halothane, CHBrClCF3, with dimethyl sulfide(-d6) and trimethylphosphine(-d9) have been studied in solutions of liquid krypton using infrared and Raman spectroscopy. In the 1:1 complexes, the halothane CH stretching mode is found to be red-shifted by 43 cm−1 in the dimethyl sulfide complex, and by 63 cm−1 in the trimethylphosphine complex. The complexation enthalpies were derived and amount to −10.7(2) and −11.2(2) kJ mol−1 for the respective complexes. The experiments were supported by ab initio calculations and Monte Carlo simulations. The obtained data for the CH⋯S and CH⋯P hydrogen bonds is compared to that of corresponding CH⋯O and CH⋯N hydrogen bonds. |
|
|
|
Language
|
|
|
|
English
|
|
|
Source (journal)
|
|
|
|
Journal of molecular structure. - Amsterdam
|
|
|
Publication
|
|
|
|
Amsterdam
:
2012
|
|
|
ISSN
|
|
|
|
0022-2860
|
|
|
DOI
|
|
|
|
10.1016/J.MOLSTRUC.2012.02.063
|
|
|
Volume/pages
|
|
|
|
1023
(2012)
, p. 90-95
|
|
|
ISI
|
|
|
|
000308971900017
|
|
|
Full text (Publisher's DOI)
|
|
|
|
|
|
|
Full text (publisher's version - intranet only)
|
|
|
|
|
|