61703-81-9

Basic information

• Product Name: [nickel(II)(1,3-propanedithiolate)(1,2-bis(diphenylphosphino)ethane)]
• Synonyms: [nickel(II)(1,3-propanedithiolate)(1,2-bis(diphenylphosphino)ethane)]
• CAS NO: 61703-81-9
• Molecular Weight: 563.327
• Mol File: 61703-81-9.mol

Chemical Properties

• CAS DataBase Reference: [nickel(II)(1,3-propanedithiolate)(1,2-bis(diphenylphosphino)ethane)](CAS DataBase Reference)
• NIST Chemistry Reference: [nickel(II)(1,3-propanedithiolate)(1,2-bis(diphenylphosphino)ethane)](61703-81-9)
• EPA Substance Registry System: [nickel(II)(1,3-propanedithiolate)(1,2-bis(diphenylphosphino)ethane)](61703-81-9)

Safety Data

• Hazardous Substances Data: 61703-81-9(Hazardous Substances Data)

Upstream product

• 109-80-8 1.3-propanedithiol 
• 14647-23-5 1,2-bis(diphenylphosphino)ethane nickel(II) chloride 

Downstream Products

• 25640-47-5 bis[1,2-bis(diphenylphosphino)ethane]hydridonickel(II) tetrafluoroborate 
• 15628-25-8 Ni⁽⁰⁾(1,2-bis(diphenylphosphino)ethane)2 
• 877034-21-4 (OC)₃Fe((CH₂)₃S₂)Ni(Ph₂P(CH₂)₂PPh₂) 
• 13463-40-6 iron pentacarbonyl 

Relevant articles and documents

Synthetic Designs and Structural Investigations of Biomimetic Ni-Fe Thiolates

Described are the syntheses of several Ni(μ-SR)2Fe complexes, including hydride derivatives, in a search for improved models for the active site of [NiFe]-hydrogenases. The nickel(II) precursors include (i) nickel with tripodal ligands: Ni(PS3)a' and Ni(NS3)a' (PS33- = tris(phenyl-2-thiolato)phosphine, NS33- = tris(benzyl-2-thiolato)amine), (ii) traditional diphosphine-dithiolates, including chiral diphosphine R,R-DIPAMP, (iii) cationic Ni(phosphine-imine/amine) complexes, and (iv) organonickel precursors Ni(o-tolyl)Cl(tmeda) and Ni(C6F5)2. The following new nickel precursor complexes were characterized: PPh4[Ni(NS3)] and the dimeric imino/amino-phosphine complexes [NiCl2(PCHa?NAn)]2 and [NiCl2(PCH2NHAn)]2 (P = Ph2PC6H4-2-). The iron(II) reagents include [CpFe(CO)2(thf)]BF4, [Cp?Fe(CO)(MeCN)2]BF4, FeI2(CO)4, FeCl2(diphos)(CO)2, and Fe(pdt)(CO)2(diphos) (diphos = chelating diphosphines). Reactions of the nickel and iron complexes gave the following new Ni-Fe compounds: Cp?Fe(CO)Ni(NS3), [Cp(CO)Fe(μ-pdt)Ni(dppbz)]BF4, [(R,R-DIPAMP)Ni(μ-pdt)(H)Fe(CO)3]BArF4, [(PCHa?NAn)Ni(μ-pdt)(Cl)Fe(dppbz)(CO)]BF4, [(PCH2NHAn)Ni(μ-pdt)(Cl)Fe(dppbz)(CO)]BF4, [(PCHa?NAn)Ni(μ-pdt)(H)Fe(dppbz)(CO)]BF4, [(dppv)(CO)Fe(μ-pdt)]2Ni, {H[(dppv)(CO)Fe(μ-pdt)]2Ni]}BF4, and (C6F5)2Ni(μ-pdt)Fe(CO)2(dppv) (DIPAMP = (CH2P(C6H4-2-OMe)2)2; BArF4- = [B(C6H3-3,5-(CF3)2]4-)) Within the context of Ni-(SR)2-Fe complexes, these new complexes feature new microenvironments for the nickel center: Tetrahedral Ni, chirality, imine, and amine coligands, and Ni-C bonds. In the case of {H[(dppv)(CO)Fe(μ-pdt)]2Ni}+, four low-energy isomers are separated by ≤3 kcal/mol, one of which features a biomimetic HNi(SR)4 site, as supported by density functional theory calculations.

Identifying a Real Catalyst of [NiFe]-Hydrogenase Mimic for Exceptional H2 Photogeneration

Inspired by the natural [NiFe]-H2ase, we designed mimic 1, (dppe)Ni(μ-pdt)(μ-Cl)Ru(CO)2Cl to realize effective H2 evolution under photocatalytic conditions. However, a new species 2 was captured in the course of photo-, el