Cooperative hydrogen bonding in trimers involving HCN and HBO |
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| Authors: | McDowell Sean A C Buckingham A David |
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| Institution: | Department of Biological and Chemical Sciences, The University of the West Indies, Cave Hill Campus, Barbados. sacm@mail.com |
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| Abstract: | A computational study of the cooperative effect of hydrogen bonding in linear trimers comprised of HCN and HBO molecules was undertaken at the MP2/6-311++G(2d,2p) level of theory. It was found that the third molecule leads to enhancement of the binding relative to that of the dimer species comprising these monomers. HBO is a better proton acceptor and a weaker proton donor than HCN. |
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