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Predicted Enthalpies of Formation for Silaethylene, Disilene, and their Silylene Isomers. (Reannouncement with New Availability Information).

ADA234499

Publication Date	1990
Personal Author	Boatz, J. A.; Gordon, M. S.
Page Count	4
Abstract	Accurate enthalpies of formation are essential in understanding the thermodynamics of any given class of reactions. Furthermore, a knowledge of enthalpies of formation for a reaction or a group of related reactions is a necessary first step in the deduction of the mechanisms for these reactions. Unfortunately, thermodynamic properties of many silicon compounds are not well-known experimentally. In particular, the enthalpies of formation of the prototypical unsaturated silicon compounds silaethylene (SiH2==CH2) and disilene (SiH2==SiH2) and their silylene isomers (HSiCH3 and HSiSiH3, respectively) are not well-known experimentally and continue to be debated. Fortunately, for molecules with just 1-2 heavy atoms, theory is now able to provide quantitative guidance regarding thermodynamic quantities. Theoretical methods are used here to help unravel the thermodynamics of the four unsaturated silicon-containing compounds mentioned above.
Keywords	Enthalpy Silicon compounds Accuracy Guidance Methodology Molecules Theory Thermodynamic properties Thermodynamics Reprints Chemical reaction mechanisms Ethylene/sila Disilene Synthesis(Chemistry)
Source Agency	Air Force Non Paid Reprints
NTIS Subject Category	99F - Physical & Theoretical Chemistry 99D - Basic & Synthetic Chemistry
Corporate Authors	North Dakota State Univ., Fargo. Dept. of Chemistry.; Air Force Office of Scientific Research, Bolling AFB, DC.
Document Type	Journal Article
Title Note	Journal article 1 Nov 89-31 Oct 90.
NTIS Issue Number	199517

Predicted Enthalpies of Formation for Silaethylene, Disilene, and their Silylene Isomers. (Reannouncement with New Availability Information).

Predicted Enthalpies of Formation for Silaethylene, Disilene, and their Silylene Isomers. (Reannouncement with New Availability Information).
ADA234499

Publication Date	1990
Personal Author	Boatz, J. A.; Gordon, M. S.
Page Count	4
Abstract	Accurate enthalpies of formation are essential in understanding the thermodynamics of any given class of reactions. Furthermore, a knowledge of enthalpies of formation for a reaction or a group of related reactions is a necessary first step in the deduction of the mechanisms for these reactions. Unfortunately, thermodynamic properties of many silicon compounds are not well-known experimentally. In particular, the enthalpies of formation of the prototypical unsaturated silicon compounds silaethylene (SiH2==CH2) and disilene (SiH2==SiH2) and their silylene isomers (HSiCH3 and HSiSiH3, respectively) are not well-known experimentally and continue to be debated. Fortunately, for molecules with just 1-2 heavy atoms, theory is now able to provide quantitative guidance regarding thermodynamic quantities. Theoretical methods are used here to help unravel the thermodynamics of the four unsaturated silicon-containing compounds mentioned above.
Keywords	Enthalpy Silicon compounds Accuracy Guidance Methodology Molecules Theory Thermodynamic properties Thermodynamics Reprints Chemical reaction mechanisms Ethylene/sila Disilene Synthesis(Chemistry)
Source Agency	Air Force Non Paid Reprints
NTIS Subject Category	99F - Physical & Theoretical Chemistry 99D - Basic & Synthetic Chemistry
Corporate Authors	North Dakota State Univ., Fargo. Dept. of Chemistry.; Air Force Office of Scientific Research, Bolling AFB, DC.
Document Type	Journal Article
Title Note	Journal article 1 Nov 89-31 Oct 90.
NTIS Issue Number	199517