Potential primary pyrolysis processes for disilane

Journal Article · Wed Apr 02 00:00:00 EST 1986 · J. Am. Chem. Soc.; (United States)

DOI:https://doi.org/10.1021/ja00267a011· OSTI ID:5424195

Gordon, M S; Truong, T N; Bonderson, E K

Four competing unimolecular decomposition pathways for disilane are considered with use of MP4 energies obtained with an extended basis set and geometries obtained at the MP2/6-31G** computational level. The 1,1- and 1,2-eliminations of H/sub 2/ and the elimination of silylene to form silane all have similar endothermicities, but the very high activation energy for the 1,2-elimination eliminates this process as a significant contributor at low energies. If disilene is formed in the thermal decomposition of disilane, the more likely source is its higher energy isomer silylsilylene via a relatively low energy 1,2-hydrogen shift.

• Research Organization: North Dakota State Univ., Fargo
• OSTI ID: 5424195
• Journal Information: J. Am. Chem. Soc.; (United States), Vol. 108:7
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
DIMERS
PYROLYSIS
SILANES
BOND ANGLE
MATHEMATICAL MODELS
NORMAL-MODE ANALYSIS
THEORETICAL DATA
THERMODYNAMICS
VIBRATIONAL STATES
CHEMICAL REACTIONS
DATA
DECOMPOSITION
ENERGY LEVELS
EXCITED STATES
HYDRIDES
HYDROGEN COMPOUNDS
INFORMATION
NUMERICAL DATA
ORGANIC COMPOUNDS
ORGANIC SILICON COMPOUNDS
SILICON COMPOUNDS
THERMOCHEMICAL PROCESSES
400800* - Combustion
Pyrolysis
& High-Temperature Chemistry