Quantum-chemical study of the geometric and electronic structure of the chromate anion CrO 4 2? and a chromate group on the surface of finely divided silica by the CNDO/2 method

Author:

Plyuto I. V.,Shpak A. P.,Plyuto Yu. V.,Chuiko A. A.

Publisher

Springer Science and Business Media LLC

Subject

General Chemistry

Reference18 articles.

1. M. P. McDaniel, ?The state of Cr(VI) on the Cr/Silica polymerization catalyst,? J. Catal., 67, No. 3, 71?76 (1981).

2. R. Merryfield, M. McDaniel, and G. Parks, ?An XPS study of the Phillips Cr/silica polymerization catalyst,? ibid., 77, No. 2, 348?359 (1982).

3. A. G. Guzikevich, I. P. Beletskii, Yu. I. Gorlov, and A. A. Chuiko, ?Investigation of the electronic structure of the CrO 4 2- and CrO 4 3? and CrO 4 3? oxo anions by the scattered-wave-X? method,? Dokl. Akad. Nauk UkrSSR, Ser. B, No. 4, 24?27 (1982).

4. I. P. Beletskii, ?Influence of impurity chromium and iron ions on the chemical nature of active sites on silica gel surfaces,? Author's abstract of dissertation for the degree of Candidate of Chemical Sciences, Kiev (1981).

5. V. G. Maslov, ?Program for calculating molecular systems, including up to 232 orbitals by the CNDO method,? Zh. Strukt. Khim., 18, No. 2, 414?415 (1977).

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