Bond Valence Sums in Coordination Chemistry Using Oxidation State Independent R(0) Values. A Simple Calculation of the Oxidation State of Titanium in Complexes Containing Ti-N, Ti-O, and Ti-Cl Bonds.

A simple method for determining the oxidation state of the Ti in complexes involving only N, O, or Cl donors using the bond valence sum, henceforth BVS, is proposed. New R(0) values of 1.906 for Ti-N, 1.790 for Ti-O, and 2.184 for Ti-Cl were determined from TiL(n)() complexes where L was N, O, or Cl and n varied from 4 to 7. These R(0) values were then used to calculate the BVS for 534 Ti complexes with coordination numbers of 4-7 and only N, O, or Cl as donor atoms. Examples where the BVS was a noninteger value or differed from the reported oxidation state are discussed.