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Full Record Details
Persistent URL
http://purl.org/net/epubs/work/36244
Record Status
Checked
Record Id
36244
Title
Temperature dependence of proton transfer in 4-chlorobenzoic acid
Contributors
CC Wilson (Glasgow U.)
,
X Xu (Strathclyde U.)
,
AJ Florence
,
N Shankland
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
Funding Information
Related Research Object(s):
Licence Information:
Language
English (EN)
Type
Details
URI(s)
Local file(s)
Year
Journal Article
New J Chem
30 (2006): 979-981.
doi:10.1039/b601123c
2006
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