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The structure and acid–base properties of methyl and silyl amines and phosphines: An ab-initio SCF study

✍ Scribed by Chistopher Glidewell; Colin Thomson

Publisher
John Wiley and Sons
Year
1982
Tongue
English
Weight
784 KB
Volume
3
Category
Article
ISSN
0192-8651

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✦ Synopsis

The structures of the methyl and silyl amines and phosphines and their ions have been calculated using ab-initio SCF theory and the 3-216: basis set. The computed structures give excellent agreement with the available experiment data without the inclusion of d functions, with the exception of (SiH3)2Nand the isoelectronic molecules (SiH&O and (SiH3)2C2-where d functions are essential. The observed trends in computed basicities and acidities are reproduced by the calculations.

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