✦ LIBER ✦

Excited electronic states of PF2

✍ Scribed by Russell D. Johnson III; Karl K. Irikura

Publisher: Elsevier Science
Year: 1994
Tongue: English
Weight: 505 KB
Volume: 228
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(94)00917-1

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✦ Synopsis

The energies of the states below 40000 cm-' have been calculated at the CASPTZ( 3, 8)/ANO level. The symmetry assignments and energies at this level are: 2AI 15798 cm-', 2B2 21791 cm-', 4B, 27528 cm-', 2A, 40304 cm-', 2BI 41596 cm-', and 4A2 46879 cm-'. We expect these energies to be within 1500 cm-' of experimentally determined energies. These results suggest that the emitting state found in a recent spectroscopic study of PF, (Chem. Phys. Letters 210 ( 1993) 362) is not the 4A2 state but the 2B2 state.

' Certain commercial materials and equipment are identified in this Letter in order to adequately specify the experimental procedure. In no case does such identification imply recommendation or endorsement by the National Institute of Standards and Technology, nor does it imply that the material or equipment identified is the best available for the purpose.

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