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The structure and stability of neutral pentacoordinated silicon compounds

✍ Scribed by Mark S. Gordon; Larry P. Davis; Larry W. Burggraf

Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
337 KB
Volume
163
Category
Article
ISSN
0009-2614

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✦ Synopsis

Ab initio and semi-empirical wavefunctions are used to examine the stability of neutral pentacoordinated compounds with the formula HsN-SiXYS, where X and Y are the axial and equatorial ligands, respectively, and both ligands can be H, F, Cl. It is found from both levels of theory that a relatively weakly bound ligand (e.g. Cl) in the axial position facilitates complexation of the Si with NH, due to a more balanced three-center bond. Very electronegative ligands (e.g. F) are also stabilizing, since they increase the positive charge on Si.

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