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Mechanistic Study of Thermal Decomposition of Hexamethyldisilane by Flash Pyrolysis Vacuum Ultraviolet Photoionization Time-of-Flight Mass Spectrometry and Density Functional Theory.
Liu X, Zhang J, Vazquez A, Wang D, Li S. Liu X, et al. J Phys Chem A. 2019 Dec 12;123(49):10520-10528. doi: 10.1021/acs.jpca.9b08102. Epub 2019 Nov 25. J Phys Chem A. 2019. PMID: 31710488
Unimolecular decomposition reactions of HMDS involving Si-Si and Si-C bond cleavage, as well as decomposition producing Me(4)Si and :SiMe(2) via a three-centered elimination, were determined as the initiation reactions. Me(3)SiSi(Me)(2)(), Me(4)Si, Me(3)Si(), and :SiMe(2) …
Unimolecular decomposition reactions of HMDS involving Si-Si and Si-C bond cleavage, as well as decomposition producing Me(4)Si and :SiMe(2) …