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
Ab initio molecular structure and vibrational spectra of the acetylene trimer
β Scribed by Wagner B. de Almeida; Alan Hinchliffe; J.Simon Craw
- Book ID
- 113257502
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 829 KB
- Volume
- 208
- Category
- Article
- ISSN
- 0166-1280
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The properties of a number of electron donor-acceptor and hydrogen-bonded complexes formed between sulphur dioxide and the series of molecules ammonia, water, hydrogen fluoride, phosphine, hydrogen sulphide and hydrogen chloride have been determined by means of ab initio molecular orbital calculatio