Theoretical and experimental results are presented for the pyrolytic decomposition of the nerve agent sarin (GB) in the gas phase. High-level quantum chemistry calculations are performed together with a semiclassical transition-state theory for describing quantum mechanical tunneling. The experimental and theoretical results for the temperature dependence of the survival times show very good agreement, as does the calculated and measured activation energy for thermal decomposition. The combined results suggest that the thermal decomposition of GB, for temperature ranging from 350 to 500 °C, goes through a pericyclic reaction mechanism with a transition state consisting of a six-membered ring structure.

Organo-phosphorus compounds S 0080 Fluorinated Phosphorus Compounds. Part 10. Bis(fluoroalkyl) S-Alkyl Phosphorothiolates and Tris(fluoroalkyl) Phosphorothionates. -More versatile routes to the title phosporothiolates and -thionates are developed. -(TIMPERLEY*, C. M.; KIRKPATRICK, S.; SANDFORD, M.; WATERS, M. J.; J. Fluorine Chem. 126 (2005) 6, 902-906; Def. Sci. Technol. Lab., Chem. Biol. Def. Sect., Salisbury, Wiltshire SP4 0JQ, UK; Eng.) -D. Singer 47-169

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