Metal-Ligand Misfits: Facile Access to Rhenium-Oxo Corroles by Oxidative Metalation

A self-consistent system of additive covalent radii, R(AB)=r(A) + r(B), is set up for the entire periodic table, Groups 1-18, Z=1-118. 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 fit. Both E-E, E-H, and E-CH(3) data are incorporated for most elements, E. Many E-E' data inside the same group are included. For the late main groups, the system is close to that of Pauling. For other elements it is close to the methyl-based one of Suresh and Koga [J. Phys. Chem. A 2001, 105, 5940] and its predecessors. For the diatomic alkalis MM' and halides XX', separate fits give a very high accuracy. These primary data are then absorbed with the rest. The most notable exclusion are the transition-metal halides and chalcogenides which are regarded as partial multiple bonds. Other anomalies include H(2) and F(2). The standard deviation for the 410 included data points is 2.8 pm. Show more

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. Show more

A system of additive covalent radii is proposed for sigma(2) pi(4) triple bonds involving elements from Be to E 112 (eka-mercury). Borderline cases with weak multiple bonding are included. Only the elements in Group 1, the elements Zn-Hg in Group 12 and Ne in Group 18 are then totally excluded. Gaps are left at late actinides and some lanthanides. The standard deviation for the 324 included data points is 3.2 pm. Show more