The titanium species existing in titanium silicalite TS-1, which is prepare
d by hydrothermal method, were investigated using chemical analysis, XRD, F
T-IR, Si-29 MAS NMR, UV-VIS, ESR. It has been observed that several kinds o
f titanium species may exist in titanium silicalite. The form that titanium
atoms incorporate into the framework of titanium silicalite synthesized us
ing tetrapropylammonium bromide (TPABr) as template differs from that using
the classical method. But, the symmetry of titanium silicalite, changes fr
om monoclinic to orthorhombic with the increase of titanium content in both
methods. The Ti-O-2(-) originated from framework titanium and H2O2 has the
moderate stability and may be active site in oxidation reaction. TS-1 synt
hesized using TPABr as template does not contain anatase, but contains a ki
nd of partly condensed titanium species with six-fold coordination. The tit
anium species may correspond to 270-280 mn band in UV-VIS spectra and also
can form Ti-O-2(-). But, this kind of Ti-O-2(-) is very stable and cannot b
e catalytic active site. So, the six-fold coordination titanium species may
be inactive in both the oxidation reaction and the decomposition of H2O2.
The hypothesis has been further proved by the phenomena that the titanium s
pecies is easily washed off using acid, and acid treating will not influenc
e the catalytic performance of TS-1. (C) 2001 Elsevier Science B.V. All rig
hts reserved.