MNDO study of the proton affinity of fluorinated formaldehydes and acetones
β Scribed by Roger L. DeKock; Craig P. Jasperse; Mark S. Konings
- Publisher
- Elsevier Science
- Year
- 1983
- Tongue
- English
- Weight
- 505 KB
- Volume
- 94
- Category
- Article
- ISSN
- 0022-2860
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π SIMILAR VOLUMES
Proton affinities (PA) of 80 neutral bases were calculated using the semiempirical molecular orbital procedure MNDO. These were compared with the corresponding experimental and, where available, ab initio STO-SG and 4-31G data. For the 12 bases studied which led to ions which were not hyperconjugati
Tandem mass spectrometric studies show that SiH; is formed in bimolecular reactions of SiH, with NH;, C,H<, GHz and C,Hi ions. The dependence of the reaction cross sections on ion energy indicates the formation of SiH; from NH;, C,H:, and C,Hi to be esothcrmic reactions, while formation from C,Hi is