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X̃ 1A1, ã 3B1, and à 1B1 electronic state of silylenes. Structures and vibrational frequencies of SiH2, and SiHF, and SiF2

✍ Scribed by Michael E. Colvin; Roger S. Grev; Henry F. Schaefer III; Jozef Bicerano

Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
629 KB
Volume
99
Category
Article
ISSN
0009-2614

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✦ Synopsis

The spectroscopic characteristics of the three lowest-lying electronic state-s of SiRa. SiHHF, and SiFa have been predicted via a priori qnantmn-mechanical methods_ Where experimental results are available, the theoretical predictions usbaBy agree well. SpeciticaBy Rao's identification of the 3Br atate of SiPa is confhmed here. AJso MlBgan and Jacox's very tentative assignment of an absorption at 2032 cm-' to vt @Hz) ia shown to be reasonable. Many spectroscopic features have been predicted for which there are no experimental observations at present.

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