Stilbene-incorporated platinum(II) di-yne electrocatalysts for generating hydrogen from acetic acid

Khalaf M. Alenezi; Ashanul Haque; Hani El Moll; Houcine Ghalla; Muhammad S. Khan; Wai Yeung Wong

doi:10.1016/j.molstruc.2024.137587

Stilbene-incorporated platinum(II) di-yne electrocatalysts for generating hydrogen from acetic acid

Khalaf M. Alenezi, Ashanul Haque^*, Hani El Moll, Houcine Ghalla, Muhammad S. Khan, Wai Yeung Wong

^*Corresponding author for this work

Chemistry

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

Abstract

Molecular hydrogen (H₂) is a potential alternative to fossil fuels since it is a green energy source with high energy density and non-polluting combustion materials. We present herein the electrochemical properties and hydrogen evolution reaction (HER) ability of two Pt(II) diynes (Pt-Sb-Pt & Sb-Pt-Sb) bearing stilbene unit. Both complexes catalyzed the HER in acidic media. In addition, density functional theory (DFT) calculation was carried out at B3LYP/LANL2DZ level of theory in gas phases as well as in the solvent (DMF) to delineate the possible mechanism of HER. We demonstrated that the studied Pt(II) electrocatalysts shift the reduction potential noticeably. However, no apparent role of photo-switchable stilbene fragment on electrolysis was observed and the presence of ethynyl moiety was necessary for stabilization of the metal center. To the best of our knowledge, this is the first study highlighting the electrocatalytic HER by platina-ynes.

Original language	English
Article number	137587
Journal	Journal of Molecular Structure
Volume	1303
DOIs	https://doi.org/10.1016/j.molstruc.2024.137587
Publication status	Published - May 1 2024

Keywords

Density functional theory
Electrocatalysts
Hydrogen evolution reaction (HER)
Metallaynes

ASJC Scopus subject areas

Analytical Chemistry
Spectroscopy
Organic Chemistry
Inorganic Chemistry

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10.1016/j.molstruc.2024.137587

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title = "Stilbene-incorporated platinum(II) di-yne electrocatalysts for generating hydrogen from acetic acid",

abstract = "Molecular hydrogen (H2) is a potential alternative to fossil fuels since it is a green energy source with high energy density and non-polluting combustion materials. We present herein the electrochemical properties and hydrogen evolution reaction (HER) ability of two Pt(II) diynes (Pt-Sb-Pt & Sb-Pt-Sb) bearing stilbene unit. Both complexes catalyzed the HER in acidic media. In addition, density functional theory (DFT) calculation was carried out at B3LYP/LANL2DZ level of theory in gas phases as well as in the solvent (DMF) to delineate the possible mechanism of HER. We demonstrated that the studied Pt(II) electrocatalysts shift the reduction potential noticeably. However, no apparent role of photo-switchable stilbene fragment on electrolysis was observed and the presence of ethynyl moiety was necessary for stabilization of the metal center. To the best of our knowledge, this is the first study highlighting the electrocatalytic HER by platina-ynes.",

keywords = "Density functional theory, Electrocatalysts, Hydrogen evolution reaction (HER), Metallaynes",

author = "Alenezi, {Khalaf M.} and Ashanul Haque and Moll, {Hani El} and Houcine Ghalla and Khan, {Muhammad S.} and Wong, {Wai Yeung}",

note = "Publisher Copyright: {\textcopyright} 2024 Elsevier B.V.",

year = "2024",

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doi = "10.1016/j.molstruc.2024.137587",

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T1 - Stilbene-incorporated platinum(II) di-yne electrocatalysts for generating hydrogen from acetic acid

AU - Alenezi, Khalaf M.

AU - Haque, Ashanul

AU - Moll, Hani El

AU - Ghalla, Houcine

AU - Khan, Muhammad S.

AU - Wong, Wai Yeung

PY - 2024/5/1

Y1 - 2024/5/1

N2 - Molecular hydrogen (H2) is a potential alternative to fossil fuels since it is a green energy source with high energy density and non-polluting combustion materials. We present herein the electrochemical properties and hydrogen evolution reaction (HER) ability of two Pt(II) diynes (Pt-Sb-Pt & Sb-Pt-Sb) bearing stilbene unit. Both complexes catalyzed the HER in acidic media. In addition, density functional theory (DFT) calculation was carried out at B3LYP/LANL2DZ level of theory in gas phases as well as in the solvent (DMF) to delineate the possible mechanism of HER. We demonstrated that the studied Pt(II) electrocatalysts shift the reduction potential noticeably. However, no apparent role of photo-switchable stilbene fragment on electrolysis was observed and the presence of ethynyl moiety was necessary for stabilization of the metal center. To the best of our knowledge, this is the first study highlighting the electrocatalytic HER by platina-ynes.

AB - Molecular hydrogen (H2) is a potential alternative to fossil fuels since it is a green energy source with high energy density and non-polluting combustion materials. We present herein the electrochemical properties and hydrogen evolution reaction (HER) ability of two Pt(II) diynes (Pt-Sb-Pt & Sb-Pt-Sb) bearing stilbene unit. Both complexes catalyzed the HER in acidic media. In addition, density functional theory (DFT) calculation was carried out at B3LYP/LANL2DZ level of theory in gas phases as well as in the solvent (DMF) to delineate the possible mechanism of HER. We demonstrated that the studied Pt(II) electrocatalysts shift the reduction potential noticeably. However, no apparent role of photo-switchable stilbene fragment on electrolysis was observed and the presence of ethynyl moiety was necessary for stabilization of the metal center. To the best of our knowledge, this is the first study highlighting the electrocatalytic HER by platina-ynes.

KW - Density functional theory

KW - Electrocatalysts

KW - Hydrogen evolution reaction (HER)

KW - Metallaynes

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Stilbene-incorporated platinum(II) di-yne electrocatalysts for generating hydrogen from acetic acid

Abstract

Keywords

ASJC Scopus subject areas

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