A Concerted Triple Dissociation : The Photochemistry of S-Tetrazine
Abstract
The method of photofragment-translational spectroscopy was used in a molecular beam study of the photochemistry of s-tetrazine. Following 1B3u yield 1Ag (S1 yields S0 excitation) or 1B2u yields Ag (248 nm excitation), s-tetrazine reverts to the highly vibrationally excited ground electronic state through internal conversion, then decomposes into 2HCN + N2 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 S1 yield S 0 excitation, going into translation. The asymptotic angles between N2 and HCN with respect to the center of mass of s-tetrazine were 117.2 + or - 0.5 and 114.4 + or - 0.5 for S1 yield S0 and 248 nm excitation respectively.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jan 01, 1988
- Accession Number
- ADA207066
Entities
People
- Eric J. Hintsa
- Walter B. Miller
- Xinsheng Zhao
- Yuan T. Lee
Organizations
- University of California, Berkeley