• 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