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Theoretical study on the excited states of HCN

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dc.contributor.author Nayak, M. K
dc.contributor.author Chaudhuri, R. K
dc.contributor.author Krishnamachari, S. N. L. G
dc.date.accessioned 2008-09-09T11:17:21Z
dc.date.available 2008-09-09T11:17:21Z
dc.date.issued 2005-05
dc.identifier.citation Journal of Chemical Physics, Vol. 122, No. 18, pp. 184323 en
dc.identifier.issn 0021-9606
dc.identifier.uri http://hdl.handle.net/2248/3508
dc.description.abstract In 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.iso en en
dc.publisher American Institute of Physics en
dc.relation.uri http://link.aip.org/link/?JCPSA6/122/184323/1 en
dc.relation.uri http://dx.doi.org/10.1063/1.1895669 en
dc.subject Ground States en
dc.subject Photolysis en
dc.subject Hydrogen Compounds en
dc.subject Metastable States en
dc.subject Triplet State en
dc.title Theoretical study on the excited states of HCN en
dc.type Article en

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