TRIMETHYLAMINE, TRISILYLAMINE, AND TRIGERMYLAMINE - COMPARATIVE-STUDY OF IONIZATION ENERGIES, CHARGE-DISTRIBUTION, AND BONDING

Calculations of the electronic structures of (CH3)3N, (SiH3)3N, and (GeH3)3N by the Xα scattered-wave self-consistent-field method give a good account of the measured ionization energies and allow a detailed assessment of the various bond types. Interactions involving d orbitals are most important in the silicon compound, in which the highest occupied (“lone pair”) orbital is stabilized most; significant pπ-pπ bonding is found in deeper orbitals. Other features of the bonding are the appreciable interaction between nitrogen and the M-H bonds and the high polarities of the M-H and M-N bonds. The planarity of (SiH3)3N is ascribed principally to electrostatic rather than to d-orbital interactions. © 1979, American Chemical Society. All rights reserved.