The dissociation of trans-azo-dioxide dimers of c-nitroso compounds.: An ab initio study of dimeric nitrosomethane.
β Scribed by Anders B. Heiberg; Hans J. Talberg
- Publisher
- Elsevier Science
- Year
- 1977
- Weight
- 471 KB
- Volume
- 9
- Category
- Article
- ISSN
- 0001-8716
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π SIMILAR VOLUMES
C-nitroso compounds are of considerable interest in chemistry because of dimerization and cis-trans isomerization of the dimer. The climer formation has rf~. 26 The two kinds of exchange processes do not interfere and can be treated independently by the NMR line-shape method. Currently we carry out
Using the proposed gas-phase structures of the dimer of carbon monoxide as guides, ab initio molecular orbital calculations have been carried out on this species in order to determine its probable structure in cryogenic matrices, and the vibrational spectrum of that preferred structure. The Fourier