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(X = S, P) hydrogen bonding : the complexes of halothane with dimethyl sulfide and trimethylphosphine
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| Abstract |
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| 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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English
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Journal of molecular structure. - Amsterdam |
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Amsterdam : 2012
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| ISSN |
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0022-2860
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1023(2012), p. 90-95
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| ISI |
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000308971900017
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