Specific solvation of pyrylium cations
β Scribed by N. T. Berberova; G. N. Dorofeenko; O. Yu. Okhlobystin
- Book ID
- 112325272
- Publisher
- Springer US
- Year
- 1976
- Tongue
- English
- Weight
- 56 KB
- Volume
- 12
- Category
- Article
- ISSN
- 0009-3122
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π SIMILAR VOLUMES
The formal replacements of a -CH= group of benzene by -A= and -"s= groups give 6,, non-benzenoid aromatic systems, pyrylium and thiopyrylium cations, respectively. Both the cations are supposed to be resonance hybrids of Kekulg-type structures (A) and carbonium ion structures (B) in the ground stat
The solvation and reaction of ethylene radical cation in aqueous solution has been studied with Car Β± Parrinello molecular dynamics simulations. All ab initio simulations were performed using a system of 56 water and one ethylene molecule. Using a favorable symmetrically solvated radical cation as t