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Persistent URL http://purl.org/net/epubs/work/36244
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Record Id 36244
Title Temperature dependence of proton transfer in 4-chlorobenzoic acid
Abstract The energy asymmetry associated with hydrogen atom transfer in the O?H···O hydrogen bond of crystalline 4-chlorobenzoic acid has been determined from the temperature dependence of the hydrogen atom site occupancy factors, refined using singlecrystal neutron diffraction data; the energy asymmetry (DH1/R) is estimated to be 200 +/- 15 K, a factor of ca. 2.6 greater than the value obtained for benzoic acid.
Organisation CCLRC , ISIS , ISIS-SXD
Keywords Chemistry , Single crystal diffraction , proton transfer , ISIS 2006
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Language English (EN)
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Journal Article New J Chem 30 (2006): 979-981. doi:10.1039/b601123c 2006