TY - JOUR
T1 - Optimized Geometries, Vibrational Frequencies, and Thermochemical Properties of Mixed Boron- and Nitrogen-Containing Three-Membered Rings
AU - Richard, Ryan M.
N1 - 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.
PY - 2007/1/1
Y1 - 2007/1/1
N2 - 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.
AB - 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.
KW - G2 method; G3 method; CBS methods; DFT methods; Three-membered rings
UR - https://engagedscholarship.csuohio.edu/scichem_facpub/79
UR - http://dx.doi.org/10.1016/j.theochem.2006.11.018
U2 - 10.1016/j.theochem.2006.11.018
DO - 10.1016/j.theochem.2006.11.018
M3 - Article
VL - 806
JO - Journal of Molecular Structure - THEOCHEM
JF - Journal of Molecular Structure - THEOCHEM
ER -