Molecular double-bond covalent radii for elements Li-E112.
The previous systems of triple-bond and single-bond self-consistent, additive covalent radii, R(AB)=r(A)+ r(B), are completed with a fit for sigma(2)pi(2) double-bonds.The primary bond lengths, R, are taken from experimental or theoretical data corresponding to chosen group valencies. All r(E) values are obtained from the same, self-consistent fit. Many of the calculated primary data came from E=CH(2) and H-E=CH(2) models. Homonuclear LE=EL, formaldehyde-type Group 14-Group 16 and open-shell, X (3) Sigma Group-16 dimer data are included. The standard deviation for the 316 included data points is 3 pm.
Department of Chemistry, University of Helsinki, P.O.B. 55 (A.I. Virtasen aukio 1), 00014 Helsinki, Finland. pekka.pyykko@helsinki.fi
Pekka
P
Pyykkö
Michiko
M
Atsumi