Selectivity of the Lindlar catalyst in alkyne semi-hydrogenation: a direct liquid-phase adsorption study

Nikolay Cherkasov; Dmitry Yu Murzin; C. R.A. Catlow; Arunabhiram Chutia

doi:10.1039/d1cy01016f

Selectivity of the Lindlar catalyst in alkyne semi-hydrogenation: a direct liquid-phase adsorption study

Nikolay Cherkasov^*
, Dmitry Yu Murzin
, C. R.A. Catlow
, Arunabhiram Chutia

^*Corresponding author for this work

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

31 Citations (Scopus)

Abstract

We study the alkyne semi-hydrogenation selectivity over Pd and Lindlar catalyst with liquid phase adsorption. The results indicate that there are strongly-adsorbing alkyne and alkene sites; alkenes react non-selectively over the alkene adsorption sites. DFT studies indicate that the non-selective sites are low-coordination Pd atoms in the nanoparticles.

Original language	English
Pages (from-to)	6205-6216
Number of pages	12
Journal	Catalysis Science and Technology
Volume	11
Issue number	18
DOIs	https://doi.org/10.1039/d1cy01016f
Publication status	Published - 21 Sept 2021
MoE publication type	A1 Journal article-refereed

Funding

We are grateful to Mr Shrirang Deshmukh and Vishal Jadwani for help with some experimental work. NC is grateful for the Andrew Fellowship and Royal Society for the International Exchanges grant 193016. AC acknowledges the use of ARCHER/ARCHER-2 – the UK National Supercomputing service (via HEC Materials Chemistry membership and funded by EPSRC, EP/R029431), Supercomputer Wales, Athena at HPC Midlands+ (funded by the EPSRC (grant EP/ P020232/1) via the EPSRC RAP call of spring 2018 and 2019) and Cirrus UK National Tier-2 HPC service at EPCC (funded by the University of Edinburg and EPSRC (EP/P020267/1)).

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10.1039/d1cy01016f

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title = "Selectivity of the Lindlar catalyst in alkyne semi-hydrogenation: a direct liquid-phase adsorption study",

abstract = "We study the alkyne semi-hydrogenation selectivity over Pd and Lindlar catalyst with liquid phase adsorption. The results indicate that there are strongly-adsorbing alkyne and alkene sites; alkenes react non-selectively over the alkene adsorption sites. DFT studies indicate that the non-selective sites are low-coordination Pd atoms in the nanoparticles.",

author = "Nikolay Cherkasov and Murzin, \{Dmitry Yu\} and Catlow, \{C. R.A.\} and Arunabhiram Chutia",

note = "Funding Information: We are grateful to Mr Shrirang Deshmukh and Vishal Jadwani for help with some experimental work. NC is grateful for the Andrew Fellowship and Royal Society for the International Exchanges grant 193016. AC acknowledges the use of ARCHER/ARCHER-2 {\textendash} the UK National Supercomputing service (via HEC Materials Chemistry membership and funded by EPSRC, EP/R029431), Supercomputer Wales, Athena at HPC Midlands+ (funded by the EPSRC (grant EP/ P020232/1) via the EPSRC RAP call of spring 2018 and 2019) and Cirrus UK National Tier-2 HPC service at EPCC (funded by the University of Edinburg and EPSRC (EP/P020267/1)). Publisher Copyright: {\textcopyright} The Royal Society of Chemistry 2021.",

year = "2021",

month = sep,

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doi = "10.1039/d1cy01016f",

language = "English",

volume = "11",

pages = "6205--6216",

journal = "Catalysis Science and Technology",

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T1 - Selectivity of the Lindlar catalyst in alkyne semi-hydrogenation

T2 - a direct liquid-phase adsorption study

AU - Cherkasov, Nikolay

AU - Murzin, Dmitry Yu

AU - Catlow, C. R.A.

AU - Chutia, Arunabhiram

N1 - Funding Information: We are grateful to Mr Shrirang Deshmukh and Vishal Jadwani for help with some experimental work. NC is grateful for the Andrew Fellowship and Royal Society for the International Exchanges grant 193016. AC acknowledges the use of ARCHER/ARCHER-2 – the UK National Supercomputing service (via HEC Materials Chemistry membership and funded by EPSRC, EP/R029431), Supercomputer Wales, Athena at HPC Midlands+ (funded by the EPSRC (grant EP/ P020232/1) via the EPSRC RAP call of spring 2018 and 2019) and Cirrus UK National Tier-2 HPC service at EPCC (funded by the University of Edinburg and EPSRC (EP/P020267/1)). Publisher Copyright: © The Royal Society of Chemistry 2021.

PY - 2021/9/21

Y1 - 2021/9/21

N2 - We study the alkyne semi-hydrogenation selectivity over Pd and Lindlar catalyst with liquid phase adsorption. The results indicate that there are strongly-adsorbing alkyne and alkene sites; alkenes react non-selectively over the alkene adsorption sites. DFT studies indicate that the non-selective sites are low-coordination Pd atoms in the nanoparticles.

AB - We study the alkyne semi-hydrogenation selectivity over Pd and Lindlar catalyst with liquid phase adsorption. The results indicate that there are strongly-adsorbing alkyne and alkene sites; alkenes react non-selectively over the alkene adsorption sites. DFT studies indicate that the non-selective sites are low-coordination Pd atoms in the nanoparticles.

UR - https://www.scopus.com/pages/publications/85115733333

U2 - 10.1039/d1cy01016f

DO - 10.1039/d1cy01016f

M3 - Article

AN - SCOPUS:85115733333

SN - 2044-4753

VL - 11

SP - 6205

EP - 6216

JO - Catalysis Science and Technology

JF - Catalysis Science and Technology

IS - 18

ER -

Selectivity of the Lindlar catalyst in alkyne semi-hydrogenation: a direct liquid-phase adsorption study

Abstract

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