Concerted triple dissociation: the photochemistry of s-tetrazine

Journal Article · Mon May 15 00:00:00 EDT 1989 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.456405· OSTI ID:6333683

Zhao, X; Miller, W B; Hintsa, E J; Lee, Y T

The method of photofragment-translational spectroscopy was used in a molecular beam study of the photochemistry of s-tetrazine. Following /sup 1/B/sub 3//sub u/ left-arrow/sup 1/A/sub g/ (S/sub 1/left-arrowS/sub 0/ excitation) or /sup 1/B/sub 2//sub u/ left-arrow/sup 1/A/sub g/ (248 nm excitation), s-tetrazine reverts to the highly vibrationally excited ground electronic state through internal conversion, then decomposes into 2HCN+N/sub 2/ via concerted triple dissociation. By analyzing the experimental data with a simple model, it was found that the potential energy surface along the reaction coordinate after the transition state is very repulsive, leading to most of the available energy, on average 73.9% in the case of S/sub 1/ left-arrowS/sub 0/ excitation, going into translation. The asymptotic angles between N/sub 2/ and HCN with respect to the center of mass of s-tetrazine were 117.2 +- 0.5/sup 0/ and 114.4 +- 0.5/sup 0/ for S/sub 1/ left-arrowS/sub 0/ and 248 nm excitation, respectively.

• Research Organization: Materials and Chemical Sciences Division, Lawrence Berkeley Laboratory and Department of Chemistry, University of California, Berkeley, California 94720
• OSTI ID: 6333683
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 90:10; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400500* -- Photochemistry
AZINES
BEAMS
CHEMICAL REACTIONS
DATA
DATA ANALYSIS
DECOMPOSITION
DISSOCIATION
ENERGY-LEVEL TRANSITIONS
EXCITATION
EXPERIMENTAL DATA
HETEROCYCLIC COMPOUNDS
INFORMATION
MOLECULAR BEAMS
NUMERICAL DATA
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
PHOTOCHEMICAL REACTIONS
PHOTOLYSIS