An ESR study of titanium-silicalite in presence of H2O2

作者：Bonoldi L^*; Busetto C; Congiu A; Marra G; Ranghino G; Salvalaggio M; Spano G; Giamello E

来源：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , 2002, 58(6): 1143-1154.

DOI：10.1016/S1386-1425(01)00703-X

• TS-1
• H2O2
• ESR
• ab initio calculations

The interaction or H2O2 with TS-1 has been investigated by the ESR technique. A well manufactured TS-1 has been considered, where the presence of extra-structural titanium can be excluded. The two main signals observed are attributed to oxygen radical species co-ordinated on structural titanium sites, and the relevant effect of water presence in the paramagnetic complex is discussed. A comparison is performed with O-2(-)/Ti species in TS-1 obtained by reduction/re-oxidation procedures of Ti(IV). Moreover, some possible structural configurations of the paramagnetic sites are proposed, for two of which ab initio calculation yield g.-values quite close to the experimental ones.

• 出版日期2002-4