Dissociation of vibronic states of C-1A′ DCN: Quantum treatment

David T. Chuljian, Judy Ozment, Jack Simons

Research output: Contribution to journalArticlepeer-review

11 Scopus citations


The rates of dissociation of several vibrational states of nπ* excited (C-1A′) DCN have been determined via quantum dynamical means in which only the CD stretching and DCN bending motions are treated. The ab initio configuration interaction potential energy surface used in our earlier classical trajectory study of these same dissociation rates was employed in the present study. The results of this quantal study tend to support our earlier prediction that υ2←υ1 (bending-to- stretching) energy transfer plays an important role in determining the dissociation rates of these vibronic states. Surprisingly, the absolute rates obtained via the quantum method are in quite close agreement with a certain component of the classically determined rates.

Original languageEnglish (US)
Pages (from-to)176-185
Number of pages10
JournalThe Journal of chemical physics
Issue number1
StatePublished - 1984

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry


Dive into the research topics of 'Dissociation of vibronic states of C-1A′ DCN: Quantum treatment'. Together they form a unique fingerprint.

Cite this