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Cation Affinities of Cyclohexadepsipeptide: Ab Initio Study

✍ Scribed by Cui, Chunzhi; Kim, Kwang S.


Book ID
126429133
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
92 KB
Volume
103
Category
Article
ISSN
1089-5639

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πŸ“œ SIMILAR VOLUMES


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Attempts to generate phenyl or substituted phenyl cations by solvolys~s of aryl triflates have to date met mth no success.l Although there is evidence for phenyl cations derived from decomposition of benzenetiazonium ions,2 it is clear from available data that the phenyl catlon 1s a highly unstable

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Ab initio calculations are performed for AgNH 3 and Ag+NH3 at the MP2 level of theory. The equilibrium structures show C3v symmetry, the Ag-NH 3 (Ag+-NH3) stabilization energy is 0.20 eV (2.00 eV). The frequencies of the silver-ammonia stretching and bending vibrations are calculated. The theoretica