Title of article :
Ab initio study of AgNH3 and its cation
Author/Authors :
Ritze، نويسنده , , H.-H. and Radloff، نويسنده , , W.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1996
Pages :
6
From page :
415
To page :
420
Abstract :
Ab initio calculations are performed for AgNH3 and Ag+NH3 at the MP2 level of theory. The equilibrium structures show C3v symmetry, the AgNH3 (Ag+NH3) stabilization energy is 0.20 eV (2.00 eV). The frequencies of the silver-ammonia stretching and bending vibrations are calculated. The theoretical value of the adiabatic ionization potential (5.82 eV) is in good agreement with recent experimental data.
Journal title :
Chemical Physics Letters
Serial Year :
1996
Journal title :
Chemical Physics Letters
Record number :
1776121
Link To Document :
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