Competing hydrogen-bond donors: phenols vs. cyanooximes

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dc.contributor.author Aakeröy, Christer B.
dc.contributor.author Epa, Kanishka N.
dc.contributor.author Forbes, Safiyyah
dc.contributor.author Desper, John
dc.date.accessioned 2013-09-10T19:46:34Z
dc.date.available 2013-09-10T19:46:34Z
dc.date.issued 2013-09-10
dc.identifier.uri http://hdl.handle.net/2097/16417
dc.description.abstract Based on a systematic structural study of co-crystals of a ditopic probe molecule, (Z)-N,4-dihydroxybenzimidoyl cyanide, decorated with an –OH group and a cyanooxime moiety, it has been shown that in a competitive molecular recognition event, the former is the better hydrogen-bond donor. This structural behaviour is reflected by calculated electrostatic potential surfaces of the competing donors, which highlights that electrostatic charge can offer a reliable tool for predicting primary hydrogen-bond preferences. en_US
dc.language.iso en_US en_US
dc.relation.uri http://pubs.rsc.org/en/Content/ArticleLanding/2013/CE/c3ce41023d#!divAbstract en_US
dc.rights Reproduced by permission of The Royal Society of Chemistry. en_US
dc.subject Hydrogen-bond donors en_US
dc.subject Phenols en_US
dc.subject Cyanooximes en_US
dc.title Competing hydrogen-bond donors: phenols vs. cyanooximes en_US
dc.type Article (author version) en_US
dc.date.published 2013 en_US
dc.citation.doi doi:10.1039/c3ce41023d en_US
dc.citation.epage 5949 en_US
dc.citation.issue 30 en_US
dc.citation.jtitle CrystEngComm en_US
dc.citation.spage 5946 en_US
dc.citation.volume 15 en_US
dc.contributor.authoreid aakeroy en_US
dc.contributor.authoreid desperj en_US


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