Spectra and structure of organophosphorus compounds. LIV. Microwave spectrum, ab initio calculations and structure of methylphosphonothioic difluoride
β Scribed by K.K. Chatterjee; J.R. Durig
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 286 KB
- Volume
- 351
- Category
- Article
- ISSN
- 0022-2860
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π SIMILAR VOLUMES
The structure of the dithionite ion, S2 O:-, is examined using quantum chemical calculations. These studies strongly suggest that only the C2,, (trans) isomer is stable in solution. The CZv (cis) form reported in NazSZ0,.2Hz0 is stabilized by crystal forces. The calculated vibrational spectrum of th
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