Please use this identifier to cite or link to this item: http://hdl.handle.net/2248/3508
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dc.contributor.authorNayak, M. K-
dc.contributor.authorChaudhuri, R. K-
dc.contributor.authorKrishnamachari, S. N. L. G-
dc.date.accessioned2008-09-09T11:17:21Z-
dc.date.available2008-09-09T11:17:21Z-
dc.date.issued2005-05-
dc.identifier.citationJournal of Chemical Physics, Vol. 122, No. 18, pp. 184323en
dc.identifier.issn0021-9606-
dc.identifier.urihttp://hdl.handle.net/2248/3508-
dc.description.abstractIn the flash-photolysis of oxazole, iso-oxazole, and thiozole a transient band system was observed in the region 2500–3050 Å. This band system was attributed to a meta-stable form of HCN, i.e., either HNC or triplet HCN. Theoretical investigations have been carried out on the ground and excited states of HCN to characterize this and other experimentally observed transitions. The predicted geometries are compared with the experiment and earlier theoretical calculations. The present calculations show that the band system in the region 2500–3050 Å corresponds to the transition 4 (3)-A (‘)<-1(3)-A(‘)of HCN.en
dc.language.isoenen
dc.publisherAmerican Institute of Physicsen
dc.relation.urihttp://link.aip.org/link/?JCPSA6/122/184323/1en
dc.relation.urihttp://dx.doi.org/10.1063/1.1895669en
dc.subjectGround Statesen
dc.subjectPhotolysisen
dc.subjectHydrogen Compoundsen
dc.subjectMetastable Statesen
dc.subjectTriplet Stateen
dc.titleTheoretical study on the excited states of HCNen
dc.typeArticleen
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