• Title of article

    Migration of conical intersections induced by the renner effect in bent cation

  • Author/Authors

    Halلsz، نويسنده , , G.J and Vibَk، نويسنده , , ء.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2010
  • Pages
    5
  • From page
    150
  • To page
    154
  • Abstract
    Conical intersections (CIs) play an important role in the nonadiabatic molecular processes. Earlier we obtained, that the Renner effect in polyatomic molecules is accompanied by symmetry-allowed CI. Later Vértesi and Englman showed that two aligned CIs will be created in the slightly bent C 2 H 2 + cation. This finding was also supported by us. Here additional ab initio calculations were performed to map the seams of the CIs in the configuration space. We could show that increasing the displacement value of the H1 atom from the CC axis one of the seams of the CIs begin to migrate and finally disappear.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2010
  • Journal title
    Chemical Physics Letters
  • Record number

    1929501