Palladium Superoxido Complexes. In What Way (σ or π) is O2- co-ordinated? A Quantum Chemical Approach Full article
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Journal of the Chemical Society, Dalton Transactions 1972-2003 (Dalton Transactions 2003-Present)
ISSN: 1470-479X |
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| Output data | Year: 1990, Number: 11, Pages: 3265-3269 Pages count : 5 DOI: 10.1039/DT9900003265 | ||
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Abstract:
The relative stability of palladium superoxido complexes, formed viaσ- or π-type co-ordination of a superoxide ion in monomeric and trimeric palladium species, has been investigated by CNDO-S2, a semi-empirical quantum chemical
SCF-m.o. method. The CNDO-S2 method has been adapted to calculate the energetic and geometric properties of transition-metal compounds. A π-type co-ordination for O2– is calculated to be most stable for monomeric palladium species, while σ-type co-ordination is favoured for trimeric species. Experimental data on the reactivity of palladium superoxido complexes towards the epoxidation of simple alkenes are in agreement with the results of CNDO-S2 calculations.
Cite:
Filatov M.J.
, Talsi E.P.
, Gritsenko O.V.
, Zhidomirov G.M.
, Zamaraev K.I.
Palladium Superoxido Complexes. In What Way (σ or π) is O2- co-ordinated? A Quantum Chemical Approach
Journal of the Chemical Society, Dalton Transactions 1972-2003 (Dalton Transactions 2003-Present). 1990. N11. P.3265-3269. DOI: 10.1039/DT9900003265 WOS Scopus РИНЦ ANCAN OpenAlex
Palladium Superoxido Complexes. In What Way (σ or π) is O2- co-ordinated? A Quantum Chemical Approach
Journal of the Chemical Society, Dalton Transactions 1972-2003 (Dalton Transactions 2003-Present). 1990. N11. P.3265-3269. DOI: 10.1039/DT9900003265 WOS Scopus РИНЦ ANCAN OpenAlex
Dates:
| Submitted: | May 4, 1990 |
| Published print: | Nov 1, 1990 |
Identifiers:
| Web of science: | WOS:A1990EH98600018 |
| Scopus: | 2-s2.0-37049067202 |
| Elibrary: | 30885484 |
| Chemical Abstracts: | 1991:88965 |
| Chemical Abstracts (print): | 114:88965 |
| OpenAlex: | W2054372836 |