SciELO - Scientific Electronic Library Online

vol.61The ligand substitution reactions of hydrophobic vitamin B12 derivatives. Reaction of cobyric acid heptapropyl ester with heterocyclic N-donor ligandsModelling of the blood plasma species of biguanide derivatives exhibiting potential as diagnostic radiopharmaceuticals author indexsubject indexarticles search
Home Pagealphabetic serial listing  

South African Journal of Chemistry

On-line version ISSN 1996-840X
Print version ISSN 0379-4350


ANTHONY FORD, T.. The binary boron trifluoride-hydroxylamine molecular complex: N-bound or O-bound?. S.Afr.j.chem. (Online) [online]. 2008, vol.61, pp.74-81. ISSN 1996-840X.

Boron trifluoride acts as a classical Lewis acid in forming molecular complexes with a variety of electron donors. Recent computational results on a number of complexes with some oxygen and nitrogen bases have indicated relationships between the properties of the adducts, such as the interaction energies and the wavenumber shifts of some of the modes of the boron trifluoride sub-molecule, and some physical properties of the bases. Hydroxylamine represents an example of a base containing two potential sites of electron donation, the nitrogen and the oxygen atoms. Predictions based on our earlier investigations of systems of this type suggest that hydroxylamine would bind to boron trifluoride preferentially through its nitrogen atom. Whether such a complex adopts an equilibrium structure in which the NO bond of hydroxylamine lies cis or trans to one of the BF bonds of boron trifluoride is more difficult to predict. This paper investigates the relative binding properties of N-bound versus O-bound complexes of boron trifluoride with hydroxylamine, and explores the conformational preferences and vibrational spectra of both types of adduct.

Keywords : Ab initio calculations; molecular complexes; boron trifluoride; hydroxylamine.

        · text in English     · English ( pdf )


Creative Commons License All the contents of this journal, except where otherwise noted, is licensed under a Creative Commons Attribution License