The Three-Dimensional Structure of the Titanium-Centered Active Site during Steady-State Catalytic Epoxidation of Alkenes
Sankar, Gopinathan, Thomas, John Meuring, Catlow, C Richard A, Barker, Carolyn M, Gleeson, David and Kaltsoyannis, Nikolas (2001) The Three-Dimensional Structure of the Titanium-Centered Active Site during Steady-State Catalytic Epoxidation of Alkenes. The Journal of Physical Chemistry B, 107 (38). pp. 9028-9030.
Abstract
Combined in situ X-ray absorption fine structure (XAFS) measurements and density functional theory (DFT) computations yield a quantitative three-dimensional picture of the six-coordinated TiIV-centered active site (in Ti/SiO2 catalysts) during production of epoxides from alkenes in the presence of hydroperoxide as oxidants.
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