Abstract
Ab initio gradient calculations were performed on BF3 and BCl3 to evaluate the π-contribution in these compounds. The influence of the basis set on the results is studied for borontrifluoride. For the chlorine compound the π-contribution is smaller than for the fluorine compound.
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Kosmus, W., Kalcher, K. Ab-initio-Berechnungen des π-Bindungsbeitrages in BF3 und BCl3 . Monatshefte für Chemie 112, 1123–1128 (1981). https://doi.org/10.1007/BF00905466
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DOI: https://doi.org/10.1007/BF00905466