CuCl-based SILCs in the thiophene oxidation – Experimental and DFT-assisted study

CuCl-based SILCs in the thiophene oxidation – Experimental and DFT-assisted study Научная публикация

Журнал

Molecular Catalysis
ISSN: 2468-8231

Вых. Данные

Год: 2019, Том: 484, Номер статьи : 110727, Страниц : DOI: 10.1016/j.mcat.2019.110727

Авторы

Ivanin I.A. ¹ , Ali-Zade A.G. ¹ , Golubeva E.N. ¹ , Zubanova E.M. ¹ , Zelikman V.M. ¹ , Buryak A.K. ² , Tarkhanova I.G. ¹

Организации

1	Lomonosov Moscow State University
2	Frumkin Institute of Physical Chemistry and Electrochemistry. Russian Academy of Sciences

Supported ionic liquid catalysts (SILC) on Silochrome for thiophene peroxide oxidation were synthesized. They consisted of imidazolium and alkylammonium with Cu(I) and Fe(III) chloro-anions. The composition and structure of the catalysts were investigated by physicochemical methods. Quantum chemical calculations of the geometric structure and the formation energy of π-complexes of thiophene with anionic copper (I) chlorocomplexes were carried out. Based on quantum chemical calculations and experimental data with radical scavengers, the catalytic reaction mechanism has been proposed. It involves the participation of superoxide ions and copper hydroxochloride complexes. The contribution of hydroxyl radicals to thiophene oxidation probably depends on the nuclearity of copper complexes in the catalyst.

Ivanin I.A. , Ali-Zade A.G. , Golubeva E.N. , Zubanova E.M. , Zelikman V.M. , Buryak A.K. , Tarkhanova I.G.
CuCl-based SILCs in the thiophene oxidation – Experimental and DFT-assisted study
Molecular Catalysis. 2019. V.484. 110727 . DOI: 10.1016/j.mcat.2019.110727 Scopus OpenAlex

Scopus:	2-s2.0-85076533260
OpenAlex:	W2990320962

БД	Цитирований
OpenAlex	8