The Fourier transform infrared spectrum of the boron trifluoride-sulphur dioxide van der Waals complex

The structure of the binary van der Waals complex formed between boron trifluoride, as Lewis acid, and sulphur dioxide, as Lewis base, determined by a combination of microwave spectroscopic and ab initio molecular orbital studies, has recently been reported. Of four separate structures considered, only two were found to be acceptable, but it was not found possible to distinguish between these two alternatives. In this study the vibrational spectra of the two most probable structures have been predicted by means of ab initio calculations, and the infrared spectra have been observed in nitrogen and argon matrices at cryogenic temperatures. The theoretical results have been used in the interpretation of the experimental data, in an attempt to identify the preferred structure. (C) 2003 Elsevier B.V. All fights reserved.