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.