Intramolecular H-transfer reactions in Si2Hn (for n=3–5)

✍ Scribed by M.C. Ernst; A.F. Sax; J. Kalcher

• Book ID: 103032120
• Publisher: Elsevier Science
• Year: 1993
• Tongue: English
• Weight: 414 KB
• Volume: 216
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(93)e1240-h

✦ Synopsis

Intramolecular rearrangement reactions for doublet Si2H5 and Si2H3, quartet Si2Hs, and singlet SirHI have been studied. The aim of the study was to characterize a series of intramolecular H-transfer reactions in silicon hydrides with varying degrees of saturation. The transition states belonging to the reactions presented in this work possess a monobridged SisH moiety. Structuml features of the transition states and relative barrier heights have been examined; the geometry optimizations were performed with the use of CA!%SCF wavefunctions and the barrier height estimates were obtained with single-point CI calculations.