Theoretical study on the excited states of HCN

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