Sciact
  • EN
  • RU

Trigonal-Bipyramidal Lewis Base Adducts of Methyltrioxorhenium(vii) and Their Bisperoxo Congeners: Characterization, Application in Catalytic Epoxidation, and Density Functional Mechanistic Study Научная публикация

Журнал Chemistry - A European Journal
ISSN: 0947-6539 , E-ISSN: 1521-3765
Вых. Данные Год: 1999, Том: 5, Номер: 12, Страницы: 3603-3615 Страниц : 13 DOI: 10.1002/(SICI)1521-3765(19991203)5:12<3603::AID-CHEM3603>3.0.CO;2-W
Ключевые слова Density functional calculations, Epoxidation, Peroxo complexes, Rhenium, Transition states
Авторы Kühn Fritz E. 1 , Santos Ana M. 1 , Roesky Peter W. 3 , Herdtweck Eberhardt 1 , Scherer Wolfgang 1 , Gisdakis Philip 1 , Yudanov Ilya V. 2,4 , Di Valentin Cristiana Di 2,5 , Rösch Notker 2
Организации
1 Anorganisch-chemisches Institut der Technischen Universität München, Lichtenbergstrasse 4, D-85747 Garching bei München (Germany)
2 Institut für Physikalische und Theoretische Chemie Technische Universität München, Lichtenbergstrasse 4, D-85747 Garching bei München (Germany)
3 Anorganische Chemie der Universität Karlsruhe, Engesserstraûe Geb. 30.45, D-76128 Karlsruhe (Germany)
4 Boreskov Institute of Catalysis, Siberian Branch of Russian Academy of Sciences, 630090 Novosibirsk (Russia)
5 Dipartimento di Chimica Organica, Universita degli Studi di Pavia, V. le Taramelli 10, I-27100 Pavia (Italy)

Информация о финансировании (4)

1 Federal Ministry of Science, Research and Economics 03D0050B
2 German Research Foundation
3 Bayerischer Forschungsverbund Katalyse
4 Verband der Chemischen Industrie

Реферат: 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.
Библиографическая ссылка: 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 CAPlusCA OpenAlex
Даты:
Поступила в редакцию: 16 мар. 1999 г.
Опубликована online: 30 нояб. 1999 г.
Опубликована в печати: 3 дек. 1999 г.
Идентификаторы БД:
Web of science: WOS:000084163400021
Scopus: 2-s2.0-0032762574
РИНЦ: 13324056
Chemical Abstracts: 1999:796510
Chemical Abstracts (print): 132:137517
OpenAlex: W2027861348
Цитирование в БД:
БД Цитирований
Web of science 126
Scopus 128
РИНЦ 131
OpenAlex 121
Альметрики: