ISSN:
1434-4475
Keywords:
Ab initio
;
π-Bonding
;
Boronchloride
;
Boronfluoride
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
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.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00905466