Photodissociation of cyclic compounds in a molecular beam

Technical Report · Tue Nov 01 04:00:00 EST 1988

OSTI ID:6437383

Zhao, Xinsheng

A discussion on the dynamics and kinematics of photofragmentation-translational spectroscopy is presented, and the results are applied to experimental studies of four cyclic compounds: hexahydro-1,3,5- trinitro-1,3,5-triazine (RDX), s-tetrazine (ST), cyclohexene, (CHN), and 1,4-cyclohexadiene (CHDN). In infrared multiphoton dissociation (IRMPD) of RDX, the dominant primary channel is concerted triple fission to produce three CH/sub 2/N/sub 2/O/sub 2/ fragments which subsequently undergo secondary dissociation. Concerted reactions predominate over simple bond rupture not only in the number of channels, but also in the amount of products. Following /sup 1/B/sub 3u/ reverse arrow /sup 1/A/sub g/ (S/sub 1/ reverse arrow S/sub 0/) or /sup 1/B/sub 2u/ reverse arrow /sup 1/A/sub g/ (248 nm) excitation, ST reverts to the highly vibrationally excited ground electronic state through internal conversion (IC), and then decomposes into 2HCN + N/sub 2/ via concerted triple dissociation. The asymptotic angles between the N/sub 2/ and HCN groups from the center-of-mass of ST are 117.2/degree/ and 114.4/degree/ for S/sub 1/ reverse arrow S/sub 0/ and 248 nm excitation respectively.

• Research Organization: Lawrence Berkeley Lab., CA (USA)
• DOE Contract Number: AC03-76SF00098
• OSTI ID: 6437383
• Report Number(s): LBL-26332; ON: DE89006718
• Country of Publication: United States
• Language: English

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