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Reactions of bimetallic Zr,Al- hydride complexes with methylaluminoxane: NMR and DFT studyстатья
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 23 ноября 2017 г.
- Авторы: Parfenova L.V., Kovyazin P.V., Tyumkina T.V., Islamov D.N., Lyapina A.R., Karchevsky S.G., Ivchenko P.V.
- Журнал: Journal of Organometallic Chemistry
- Том: 851
- Год издания: 2017
- Издательство: Elsevier BV
- Местоположение издательства: Netherlands
- Первая страница: 30
- Последняя страница: 39
- DOI: 10.1016/j.jorganchem.2017.09.012
- Аннотация: In the reaction of [(C5H5)2ZrH2]2 with ClAlR2 (R = Et, iBu) we identified the new complexes Cl(R2)Al(μ-H)(C5H5)2Zr(μ-H)(μ-Cl)(C5H5)2Zr(μ-H)Al(R2)Cl, characterized by the upfield 1Н NMR signals for the bridging Zr-H-Zr hydride in the −7 to −6 ppm range. The complexes were found to react with methylaluminoxane (MAO) to give both toluene-soluble derivatives and poorly soluble heavy adducts. DFT study has been carried out for the modeling the possible variants of MAO binding with the complexes. Various MAO models, namely, one-, two- and three-dimensional structures were considered as scaffolds for coordination with the complexes, however, plane hexagon with a (MeAlO)3 unit as the chain analog were found to be the preferable structure for binding.
- Добавил в систему: Ивченко Павел Васильевич