Applications of a simple molecular wavefunction. Part 7.—FSGO open-shell calculations on first-row polyatomic hydrides and hydride ions

Abstract

FSGO calculations have been made on a series of first row hydride systems in their lower doublet states. The methyl radical and its isoelectronic ions are predicted to be slightly bent, OH, BH2 and NH2 are all capable of forming dipole/induced-dipole complexes with the hydrogen molecule to produce the hypothetical H3O, BH4 and NH4 molecules respectively. In general, there is not good agreement between experimental and calculated interbond angles. Possible reasons for this deficiency in the FSGO model are examined.