Potential primary pyrolysis processes of methylsilane

✍ Scribed by Mark S. Gordon; Thanh N. Truong

• Book ID: 103024834
• Publisher: Elsevier Science
• Year: 1987
• Tongue: English
• Weight: 391 KB
• Volume: 142
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(87)87261-5

✦ Synopsis

The relative energetics for eight competing decomposition reactions of methylsilane are evaluated using full fourth-order (MP4) perturbation theory and the combined McLean-Chandler/6-3 I IG basis set, augmented by polarization functions on all atoms. The lowest energy processes are predicted to be the 1, l-elimination of molecular hydrogen to form methylsilylene and the extrusion ofsilylene to form methane. The 1,2-Hz elimination is predicted to be a much higher energy process; however, unlike disilane, because of the high barrier to the methylsilylene-silaethene isomerization, the lowest energy route to the latter isomer is still likely to be the direct 1,2-elimination.