The oxidation reaction mechanism of the 1,2,3-trihydroxybenzene was studied by the Ab initio calculation of the quantum chemistry. The derivative of the hydrazine and THBO(the reaction product of the 1,2,3-trihydroxybenzene and H2O2) and its metal complexes were synthesized and characterized by the IR, Raman spectrum and thermogravimetric analysis. The composition of these complexes and the possible structure of THBO were confirmed.