Trigonal-Bipyramidal Lewis Base Adducts of Methyltrioxorhenium(vii) and Their Bisperoxo Congeners: Characterization, Application in Catalytic Epoxidation, and Density Functional Mechanistic Study Full article
| Journal |
Chemistry - A European Journal
ISSN: 0947-6539 , E-ISSN: 1521-3765 |
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| Output data | Year: 1999, Volume: 5, Number: 12, Pages: 3603-3615 Pages count : 13 DOI: 10.1002/(SICI)1521-3765(19991203)5:12<3603::AID-CHEM3603>3.0.CO;2-W | ||||||||||
| Tags | Density functional calculations, Epoxidation, Peroxo complexes, Rhenium, Transition states | ||||||||||
| Authors |
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| Affiliations |
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Funding (4)
| 1 | Federal Ministry of Science, Research and Economics | 03D0050B |
| 2 | German Research Foundation | |
| 3 | Bayerischer Forschungsverbund Katalyse | |
| 4 | Verband der Chemischen Industrie |
Abstract:
Pyrazole and pyridine adducts of methyltrioxorhenium(VII) form bisperoxo complexes with excess H2O2 (see picture). Density functional calculations reveal that the increased efficiency of these complexes as catalysts for olefin epoxidation originates from their stability and from the moderate energies of the corresponding transition states. Nonaromatic nitrogen-base ligands reduce the catalytic performance of the adducts, in agreement with the computational results.
Cite:
Kühn F.E.
, Santos A.M.
, Roesky P.W.
, Herdtweck E.
, Scherer W.
, Gisdakis P.
, Yudanov I.V.
, Di Valentin C.D.
, Rösch N.
Trigonal-Bipyramidal Lewis Base Adducts of Methyltrioxorhenium(vii) and Their Bisperoxo Congeners: Characterization, Application in Catalytic Epoxidation, and Density Functional Mechanistic Study
Chemistry - A European Journal. 1999. V.5. N12. P.3603-3615. DOI: 10.1002/(SICI)1521-3765(19991203)5:12<3603::AID-CHEM3603>3.0.CO;2-W WOS Scopus РИНЦ OpenAlex ANCAN
Trigonal-Bipyramidal Lewis Base Adducts of Methyltrioxorhenium(vii) and Their Bisperoxo Congeners: Characterization, Application in Catalytic Epoxidation, and Density Functional Mechanistic Study
Chemistry - A European Journal. 1999. V.5. N12. P.3603-3615. DOI: 10.1002/(SICI)1521-3765(19991203)5:12<3603::AID-CHEM3603>3.0.CO;2-W WOS Scopus РИНЦ OpenAlex ANCAN
Dates:
| Submitted: | Mar 16, 1999 |
| Published online: | Nov 30, 1999 |
| Published print: | Dec 3, 1999 |
Identifiers:
| ≡ Web of science: | WOS:000084163400021 |
| ≡ Scopus: | 2-s2.0-0032762574 |
| ≡ Elibrary: | 13324056 |
| ≡ OpenAlex: | W2027861348 |
| ≡ Chemical Abstracts: | 1999:796510 |
| ≡ Chemical Abstracts (print): | 132:137517 |