NASA Logo

NTRS

NTRS - NASA Technical Reports Server

Back to Results
Photodissociation of CH2. I - Potential energy surfaces of the dissociation into CH and HThe possible photodissociation pathways of the CH2 radical are studied using ab initio multireference configuration-interaction methods, and accurate photodissociation cross sections and branching ratios for the production of CH + H and C + H2 are obtained. Potential energy surfaces were calculated using the Wuppertal-Bonn self-consistent field plus a multireference single and double-excitation configuration interaction package of programs. Two-dimensional potential energy surfaces of the ten lowest triplet states correlating with the seven lowest states of CH were calculated as functions of bond angle and one C-H bond distance, keeping the other C-H bond distance fixed at the equilibrium CH2 value.
Document ID
19930035833
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
External Source(s)
Authors
Bearda, Robert A.
(NASA Headquarters Washington, DC United States)
Van Hemert, Marc C.
(Leiden State Univ. Netherlands)
Van Dishoeck, Ewine F.
(Leiden, Sterrewacht, Netherlands; California Inst. of Technology Pasadena, United States)
Date Acquired
August 15, 2013
Publication Date
December 1, 1992
Publication Information
Publication: Journal of Chemical Physics
Volume: 97
Issue: 11
ISSN: 0021-9606
Subject Category
Atomic And Molecular Physics
Accession Number
93A19830
Funding Number(s)
CONTRACT_GRANT: NAGW-1945
Distribution Limits
Public
Copyright
Other

Available Downloads

There are no available downloads for this record.
No Preview Available