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Electron impact investigation of electronic excitations in furan, thiophene, and pyrrole

Flicker, Wayne M. and Mosher, Oren A. and Kuppermann, Aron (1976) Electron impact investigation of electronic excitations in furan, thiophene, and pyrrole. Journal of Chemical Physics, 64 (4). pp. 1315-1321. ISSN 0021-9606.

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The electronically excited states of furan, thiophene, and pyrrole have been studied by electron impact at scattering angles from 0° to 80°, and impact energies of 30 and 50 eV. Low-lying features at 3.99 and 5.22 eV in furan, 3.75 and 4.62 eV in thiophene, and 4.21 eV in pyrrole are identified as singlet --> triplet transitions. The locations and, for furan and thiophene, the energy splittings of these excitations suggest that they are analogous to the lowest pi --> pi* singlet --> triplet transitions in benzene, and that these heterocycles have appreciable aromatic character. A weak feature observed in pyrrole at 5.22 eV is attributed to an optically forbidden singlet --> singlet transition. In all three molecules, transitions to several superexcited states are observed.

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Additional Information:Copyright © 1976 American Institute of Physics. Received 20 March 1975. We would like to thank Mr. Jonathan A. Burke for his able assistance in the gas chromatographic-mass spectral analysis of the pyrrole sample, and computer analysis of the data. Work was supported in part by the United States Atomic Energy Commission under Grant Number AT (04-3)-767-4. Report Code CALT-767P4-134. Work performed [by W.M.F.] in partial fulfillment of the requirements for the Ph.D. degree in Chemistry at the California Institute of Technology. Arthur Amos Noyes Laboratory of Chemical Physics, Contribution No. 5068.
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Atomic Energy CommissionAT (04-3) 767-4
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Arthur Amos Noyes Laboratory of Chemical Physics5068
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ID Code:11832
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Deposited On:02 Oct 2008 21:49
Last Modified:03 Oct 2019 00:22

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