The electronic structure of Keggin anion (PW12O40)3− and catalytic properties
- 5 December 1992
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 44 (6) , 1015-1025
- https://doi.org/10.1002/qua.560440606
Abstract
The electronic structure of the Keggin anion (PW12O40)3− has been calculated by the DV–Xα method. The nature of the chemical bonds of the Keggin anion and the relationship between electronic structure and catalytic behavior are discussed. At the same time, the difference in electronic structure and the relationship in catalytic behavior between (PW12O40)3− and (PMo12O40)3− are compared. © 1992 John Wiley & Sons, Inc.Keywords
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