ISSN:
1432-2234
Keywords:
Hyperfine coupling
;
Excited states
;
BF2
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract Comparative calculations, using five different basis sets of contracted Gaussian functions, of the geometry, bonding and hyperfine coupling constants of BF2 are reported. The best calculation, using a near Hartree-Fock atomic basis, predicts a bond angle of 120° and a bond length of 2.50 a.u. (=1.32 Å) for the X 2 A 1 ground state. The geometries of three low-lying excited states are also presented.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00528483
Permalink