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Ab initio study of formazan and 3-nitroformazan

✍ Scribed by Buemi, Giuseppe; Zuccarello, Felice; Venuvanalingam, Ponnambalam; Ramalingam, Marimuthu; Salai Cheettu Ammal, S.

Book ID
120206459
Publisher
Royal Society of Chemistry
Year
1998
Tongue
English
Weight
150 KB
Volume
94
Category
Article
ISSN
0956-5000

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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