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 AgNH3 (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
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