The Synthesis of Biphenyl through C–H Bond Activation in Benzene over a Pd Catalyst Supported on Graphene Oxide | Sciact - CRIS-система Института катализа

The Synthesis of Biphenyl through C–H Bond Activation in Benzene over a Pd Catalyst Supported on Graphene Oxide Научная публикация

Журнал

New Journal of Chemistry
ISSN: 1144-0546 , E-ISSN: 1369-9261

Вых. Данные

Год: 2020, Том: 44, Номер: 28, Страницы: 12178-12184 Страниц : 7 DOI: 10.1039/d0nj02230f

Ключевые слова

INORGANIC HYBRID NANOCATALYST; MAGNETIC MCM-41 NANOPARTICLES; ACID; FUNCTIONALIZATION; IMMOBILIZATION; DERIVATIVES; COMPLEXES; DISCOVERY; OXIDATION; BOEHMITE

Авторы

Sharma Deepika ¹ , Bulusheva Lyubov G. ^2,3 , Bulushev Dmitri A. ⁴ , Gupta Neeraj ^1,5

Организации

1	School of Chemistry, Faculty of Sciences, Shoolini University, Solan (H.P.), India
2	Nikolaev Institute of Inorganic Chemistry, Novosibirsk 630090, Russia
3	Novosibirsk State University, Novosibirsk 630090, Russia
4	Boreskov Institute of Catalysis, Novosibirsk 630090, Russia
5	Department of Chemistry and Chemical Sciences, Central University of Himachal Pradesh, Dharamshala (H.P.), India

Информация о финансировании (2)

1	Министерство науки и высшего образования Российской Федерации (с 15 мая 2018)	ГЗ-2017-2020
2	Министерство науки и высшего образования Российской Федерации (с 15 мая 2018)

This is the first report on carbon–hydrogen (C–H) bond activation in benzene over a palladium catalyst supported on graphene oxide (GO) leading to the sole formation of biphenyl with a yield of 78%. The reaction was performed for 12 h in the presence of acetic acid and oxygen at 80 °C. XPS studies indicated that in the initial catalyst, Pd is mainly present as Pd(II) species on the GO surface. The interaction of these species with acetic acid during the reaction generates Pd acetate species. Density functional theory (DFT) studies revealed that the adsorption of the first benzene molecule on the Pd acetate is weak (0.15 eV) and the energy barrier of the following C–H bond scission is high, equal to 1.67 eV. The adsorption of the second benzene molecule is relatively strong (0.40 eV); acetic acid molecules are then released, leaving the biphenyl Pd intermediate, which enables biphenyl molecule formation. The presence of oxygen and acetic acid is needed for closing the catalytic cycle via the regeneration of the reactive Pd acetate.

Sharma D. , Bulusheva L.G. , Bulushev D.A. , Gupta N.
The Synthesis of Biphenyl through C–H Bond Activation in Benzene over a Pd Catalyst Supported on Graphene Oxide
New Journal of Chemistry. 2020. V.44. N28. P.12178-12184. DOI: 10.1039/d0nj02230f WOS Scopus РИНЦ CAPlus OpenAlex

Поступила в редакцию:	3 мая 2020 г.
Принята к публикации:	24 июн. 2020 г.
Опубликована online:	24 июн. 2020 г.
Опубликована в печати:	28 июл. 2020 г.

Web of science:	WOS:000550065200028
Scopus:	2-s2.0-85088598449
РИНЦ:	45388094
Chemical Abstracts:	2020:1240954
OpenAlex:	W3037529465

БД	Цитирований
Scopus	7
Web of science	7
РИНЦ	6
OpenAlex	7