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The synthesis of biphenyl through C-H bond activation in benzene over a Pd catalyst supported on graphene oxide. / Sharma, Deepika; Bulusheva, Lyubov G.; Bulushev, Dmitri A. et al.

In: New Journal of Chemistry, Vol. 44, No. 28, 28.07.2020, p. 12178-12184.

Research output: Contribution to journal › Article › peer-review

Harvard

Sharma, D, Bulusheva, LG, Bulushev, DA & Gupta, N 2020, 'The synthesis of biphenyl through C-H bond activation in benzene over a Pd catalyst supported on graphene oxide', New Journal of Chemistry, vol. 44, no. 28, pp. 12178-12184. https://doi.org/10.1039/d0nj02230f

APA

Sharma, D., Bulusheva, L. G., Bulushev, D. A., & Gupta, N. (2020). The synthesis of biphenyl through C-H bond activation in benzene over a Pd catalyst supported on graphene oxide. New Journal of Chemistry, 44(28), 12178-12184. https://doi.org/10.1039/d0nj02230f

Vancouver

Sharma D, Bulusheva LG, Bulushev DA, 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 Jul 28;44(28):12178-12184. doi: 10.1039/d0nj02230f

Author

Sharma, Deepika ; Bulusheva, Lyubov G. ; Bulushev, Dmitri A. et al. / The synthesis of biphenyl through C-H bond activation in benzene over a Pd catalyst supported on graphene oxide. In: New Journal of Chemistry. 2020 ; Vol. 44, No. 28. pp. 12178-12184.

BibTeX

@article{30db5eaf19f745b28c2127ed74e1a12f,
title = "The synthesis of biphenyl through C-H bond activation in benzene over a Pd catalyst supported on graphene oxide",
abstract = "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.",
keywords = "INORGANIC HYBRID NANOCATALYST, MAGNETIC MCM-41 NANOPARTICLES, ACID, FUNCTIONALIZATION, IMMOBILIZATION, DERIVATIVES, COMPLEXES, DISCOVERY, OXIDATION, BOEHMITE",
author = "Deepika Sharma and Bulusheva, {Lyubov G.} and Bulushev, {Dmitri A.} and Neeraj Gupta",
year = "2020",
month = jul,
day = "28",
doi = "10.1039/d0nj02230f",
language = "English",
volume = "44",
pages = "12178--12184",
journal = "New Journal of Chemistry",
issn = "1144-0546",
publisher = "ROYAL SOC CHEMISTRY",
number = "28",

}

RIS

TY - JOUR

T1 - The synthesis of biphenyl through C-H bond activation in benzene over a Pd catalyst supported on graphene oxide

AU - Sharma, Deepika

AU - Bulusheva, Lyubov G.

AU - Bulushev, Dmitri A.

AU - Gupta, Neeraj

PY - 2020/7/28

Y1 - 2020/7/28

N2 - 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.

AB - 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.

KW - INORGANIC HYBRID NANOCATALYST

KW - MAGNETIC MCM-41 NANOPARTICLES

KW - ACID

KW - FUNCTIONALIZATION

KW - IMMOBILIZATION

KW - DERIVATIVES

KW - COMPLEXES

KW - DISCOVERY

KW - OXIDATION

KW - BOEHMITE

UR - http://www.scopus.com/inward/record.url?scp=85088598449&partnerID=8YFLogxK

U2 - 10.1039/d0nj02230f

DO - 10.1039/d0nj02230f

M3 - Article

AN - SCOPUS:85088598449

VL - 44

SP - 12178

EP - 12184

JO - New Journal of Chemistry

JF - New Journal of Chemistry

SN - 1144-0546

IS - 28

ER -

ID: 24869655