Theoretical Study on the Electronic States of Formylcarbene (HC·CHO) and Triplet Ketene (H2 CCO) and the Ultraviolet Absorption Spectra Attributable to These Molecules

dc.contributor.author	Chaudhuri, R. K
dc.contributor.author	Krishnamachari, S. L. N. G
dc.date.accessioned	2008-06-23T04:57:22Z
dc.date.available	2008-06-23T04:57:22Z
dc.date.issued	2008-05
dc.identifier.citation	J. Phys. Chem. A, Vol. 112, No. 18, pp. 4399 - 4404	en
dc.identifier.uri	http://hdl.handle.net/2248/2483
dc.description	Restricted Access
dc.description.abstract	The adiabatic energies, vibrational frequencies, and geometries of the ground and excited electronic states of formylcarbene and the triplet electronic states of ketene are calculated employing the state-of-the art ab initio methods. With the help of these calculations, certain ultraviolet (UV) absorption bands observed in the flash photolysis of oxazole and iso-oxazole are assigned to formylcarbene and triplet ketene	en
dc.format.extent	193275 bytes
dc.format.mimetype	application/pdf
dc.language.iso	en	en
dc.publisher	American Chemical Society	en
dc.relation.uri	http://pubs.acs.org/cgi-bin/abstract.cgi/jpcafh/2008/112/i18/abs/jp712172d.html	en
dc.rights	© American Chemical Society
dc.subject	Ultraviolet Absorption Spectra	en
dc.subject	ketene	en
dc.title	Theoretical Study on the Electronic States of Formylcarbene (HC·CHO) and Triplet Ketene (H2 CCO) and the Ultraviolet Absorption Spectra Attributable to These Molecules	en
dc.type	Article	en