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Issue 17, 1986
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On the nature of the Si[double bond, length as m-dash]N double bond and the ease of bending at nitrogen

Abstract

Ab initio calculations (6–31G* basis set) indicate H2Si[double bond, length as m-dash]NH to be bent (∠SiNH = 126.6°), but to have a low linearization barrier (6.0 kcal/mol at MP4/6–31G*) so that, in accord with experimental results, an electropositive SiH3 substituent at nitrogen results in a nearly linear structure (∠SiNSi = 175.6°); the Si[double bond, length as m-dash]N double bond is 54.1 kcal/mol weaker than two Si–N single bonds whereas the corresponding difference is only 1.6 kcal/mol for C[double bond, length as m-dash]N vs. two C–N bonds. (1 cal = 4.184 J.)

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Article information


J. Chem. Soc., Chem. Commun., 1986, 1373-1374
Article type
Paper

On the nature of the Si[double bond, length as m-dash]N double bond and the ease of bending at nitrogen

P. von Ragué Schleyer and P. D. Stout, J. Chem. Soc., Chem. Commun., 1986, 1373
DOI: 10.1039/C39860001373

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