Analytical Sciences

Abstract − Analytical Sciences, 24(3), 401 (2008).

Reaction Specificity of a Titanium(IV)-Porphyrin Complex to Hydrogen Peroxide in View of an Ab Initio Study
Kiyoko TAKAMURA,* Chiyo MATSUBARA,* and Takatoshi MATSUMOTO**
*Tokyo University of Pharmacy and Life Sciences, 1432-1 Horinouchi, Hachioji, Tokyo 192-0392, Japan
**Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Sendai 980-8577, Japan
A Ti-TPyP reagent, i.e. an acidic aqueous solution of oxo[5,10,15,20-tetra(4-pyridyl)porphyrinato]titanium(IV) complex, TiO(tpyp), was previously developed as a highly sensitive and specific reagent for determining hydrogen peroxide. In the present work, the reaction specificity of the TiO(tpyp) complex to hydrogen peroxide was clarified based on ab initio calculations. The results provide a well-grounded argument for determining hydrogen peroxide using the Ti-TPyP reagent experimentally.