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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
Authors: Chaudhuri, R. K
Krishnamachari, S. L. N. G
Keywords: Ultraviolet Absorption Spectra;ketene
Issue Date: May-2008
Publisher: American Chemical Society
Citation: J. Phys. Chem. A, Vol. 112, No. 18, pp. 4399 - 4404
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
Description: Restricted Access
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