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Author | Michielsen, B.; Verlackt, C.; van der Veken, B.J.; Herrebout, W.A. | ||||
Title | C-H\cdots X (X = S, P) hydrogen bonding : the complexes of halothane with dimethyl sulfide and trimethylphosphine | Type | A1 Journal article | ||
Year | 2012 | Publication | Journal Of Molecular Structure | Abbreviated Journal | J Mol Struct |
Volume | 1023 | Issue | Pages | 90-95 | |
Keywords | A1 Journal article; Electron Microscopy for Materials Science (EMAT); | ||||
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. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000308971900017 | Publication Date | 2012-03-23 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-2860; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.753 | Times cited | 21 | Open Access | |
Notes | Approved | Most recent IF: 1.753; 2012 IF: 1.404 | |||
Call Number | UA @ lucian @ c:irua:100917 | Serial | 3519 | ||
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