Optimized Geometries, Vibrational Frequencies, and Thermochemical Properties of Mixed Boron- and Nitrogen-Containing Three-Membered Rings
Journal of Molecular Structure - THEOCHEM
As a follow-up to our paper on a carbon–boron–nitrogen three-membered ring, we present here the predicted structures, vibrational frequencies, and thermochemical properties of all possible mixed boron- and nitrogen-containing rings. Of the seven possible compounds, we were able to characterize minimum-energy structures for four of them. G2, G3, CBS, and DFT methods were employed.
Richard, R. M.; Ball, D. W. Optimized geometries, vibrational frequencies, and thermochemical properties of mixed boron- and nitrogen-containing three-membered rings. Journal of Molecular Structure: THEOCHEM 2007, 806, 113-120.