Inorganic Chemistry, Vol.36, No.16, 3394-3397, 1997
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 TiLn complexes where L was N, O, or Cl and n varied from 4 to 7. These Ro 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.