Dithiophosphonate Anchored Heterometallic (Ag(I)/Fe(II)) Molecular Catalysts for Electrochemical Hydrogen Evolution Reaction

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dc.contributor.authorJangid, Dilip Kumar
dc.contributor.authorDastider, Saptarshi G.
dc.contributor.authorBiswas, Rathindranath
dc.contributor.authorKhirid, Samreet
dc.contributor.authorMeena, Sangeeta
dc.contributor.authorKumar, Pankaj
dc.contributor.authorSahoo, Subash C.
dc.contributor.authorVerma, Ved Prakash
dc.contributor.authorMakde, Ravindra D.
dc.contributor.authorKumar, Ashwani
dc.contributor.authorJangir, Ravindra
dc.contributor.authorMondal, Krishnakanta
dc.contributor.authorHaldar, Krishna Kanta
dc.contributor.authorDhayal, Rajendra S.
dc.date.accessioned2024-01-21T10:33:02Z
dc.date.accessioned2024-08-13T11:16:45Z
dc.date.available2024-01-21T10:33:02Z
dc.date.available2024-08-13T11:16:45Z
dc.date.issued2022-08-12T00:00:00
dc.description.abstractThe dichalcogenide ligated molecules in catalysis to produce molecular hydrogen through electroreduction of water are rarely explored. Here, a series of heterometallic [Ag4(S2PFc(OR)4] [where Fc = Fe(?5-C5H4)(?5-C5H5), R = Me, 1; Et, 2; nPr, 3; isoAmyl, 4] clusters were synthesized and characterized by IR, absorption spectroscopy, NMR (1H, 31P), and electrospray ionization mass spectrometry. The molecular structures of 1, 2, and 3 clusters were established by single-crystal X-ray crystallographic analysis. The structural elucidation shows that each triangular face of a tetrahedral silver(I) core is capped by a ferrocenyl dithiophosphonate ligand in a trimetallic triconnective (?3 ?2, ?1) pattern. A comparative electrocatalytic hydrogen evolution reaction of 1-5 (R = iPr, 5) was studied in order to demonstrate the potential of these clusters in water splitting activity. The experimental results reveal that catalytic performance decreases with increases in the length of the carbon chain and branching within the alkoxy (-OR) group of these clusters. Catalytic durability was found effective even after 8 h of a chronoamperometric stability test along with 1500 cycles of linear sweep voltammetry performance, and only 15 mV overpotential was increased at 5 mA/cm2 current density for cluster 1. A catalytic mechanism was proposed by applying density functional theory (DFT) on clusters 1 and 2 as a representative. Here, a ?1 coordinated S-site between Ag4 core and ligand was found a reaction center. The experimental results are also in good accordance with the DFT analysis. � 2022 American Chemical Society.en_US
dc.identifier.doi10.1021/acs.inorgchem.2c01281
dc.identifier.issn201669
dc.identifier.urihttp://10.2.3.109/handle/32116/3248
dc.identifier.urlhttps://pubs.acs.org/doi/10.1021/acs.inorgchem.2c01281
dc.language.isoen_USen_US
dc.publisherAmerican Chemical Societyen_US
dc.subjectAbsorption spectroscopyen_US
dc.subjectCatalysisen_US
dc.subjectDesign for testabilityen_US
dc.subjectDurabilityen_US
dc.subjectElectrolytic reductionen_US
dc.subjectElectrospray ionizationen_US
dc.subjectHydrogenen_US
dc.subjectLigandsen_US
dc.subjectMass spectrometryen_US
dc.subjectSilver compoundsen_US
dc.subjectSingle crystalsen_US
dc.subjectX ray crystallographyen_US
dc.subjectDensity-functional-theoryen_US
dc.subjectElectro reductionen_US
dc.subjectElectrochemicalsen_US
dc.subjectElectrospray ionization mass spectrometryen_US
dc.subjectHeterometallicsen_US
dc.subjectHydrogen evolution reactionsen_US
dc.subjectIR absorption spectroscopyen_US
dc.subjectMolecular catalystsen_US
dc.subjectMolecular hydrogenen_US
dc.subjectSynthesiseden_US
dc.subjectDensity functional theoryen_US
dc.titleDithiophosphonate Anchored Heterometallic (Ag(I)/Fe(II)) Molecular Catalysts for Electrochemical Hydrogen Evolution Reactionen_US
dc.title.journalInorganic Chemistryen_US
dc.typeArticleen_US
dc.type.accesstypeClosed Accessen_US

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