title: Theoretical study on the electronic states of formylcarbene (HC.CHO) and triplet ketene (H2CCO) and the ultraviolet absorption spectra attributable to these molecules.
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.
authors.affiliation: Indian Institute of Astrophysics, Bangalore 560034, India.
authors.forename: Rajat K
authors.initials: RK
authors.lastname: Chaudhuri
authors.forename: S L N G
authors.initials: SL
authors.lastname: Krishnamachari