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Ab initio SCF and CI study of the electronic structure and spectrum of the chlorine difluoride radical

✍ Scribed by A.B. Sannigrahi; Sigrid D. Peyerimhoff

Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
314 KB
Volume
114
Category
Article
ISSN
0009-2614

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✦ Synopsis

Equilibrium geometries of the ground 0: "A, ) and the first excited electronic state (%I& the barrier to linearity in the ground state, vertical excitation ener@es and associated osctitor strengths or Metties of various excited states have been calculated for the chlorine ditluoride radical CIFz by ab initio SCF and CI methods The observed absorption maxunum at 320 nm (3 87 cv) may bc assigned either to the X zA1 -2A1 or X zA1 -1 2B7 transition ' Humboldt Fellow, on sabbatical leave from the Department of Chemistry, I I T , Kharagpur-721302, India.

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