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

^*Korresponderande författare för detta arbete

Forskningsoutput: Tidskriftsbidrag › Artikel › Vetenskaplig › Peer review

26 Citeringar (Scopus)

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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.

Originalspråk	Engelska
Sidor (från-till)	6205-6216
Antal sidor	12
Tidskrift	Catalysis Science and Technology
Volym	11
Nummer	18
DOI	https://doi.org/10.1039/d1cy01016f
Status	Publicerad - 21 sep. 2021
MoE-publikationstyp	A1 Tidskriftsartikel-refererad

Finansiering

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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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",

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doi = "10.1039/d1cy01016f",

language = "English",

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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.

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DO - 10.1039/d1cy01016f

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

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