Photoelectron spectra of halides. Part II. High-resolution spectra of the boron trihalides
- 1 January 1971
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in J. Chem. Soc. A
- p. 1551-1559
- https://doi.org/10.1039/j19710001551
Abstract
The photoelectron spectra of boron trifluoride, trichloride, tribromide, and tri-iodide have been obtained by use of a cylindrical deflection analyser instrument and HeI resonance radiation. Vertical ionization potentials, and in most cases adiabatic ionization potential also, are tabulated. Vibrational fine structure is observed in the BF3 and BCl3 spectra, and some of the bands of BBr3 and Bl3 show splittings ascribed to spin–orbit coupling. The spectra are interpreted on the basis of band splittings, fine structure, and correlation with the results of calculations; the BF3 assignment is in good agreement with recent Gaussian basis molecular orbital calculations. From the energies of the π orbitals it is deduced that the molecular π stablisation energy follows the sequence BF3 > BCl3 > (BBr3∼ Bl3), but evidence is presented that this is still consistent with the opposite sequence of π-electron delocalisation.Keywords
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