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- Bis{P,P'-1,5-diphenyl-3,7-bis[(4-hydrogenphosphonate)phenyl]-1,5,3,7-diazadiphosphocine} nickel(II) bromide (hydrogen bromide adduct)
Bis{P,P'-1,5-diphenyl-3,7-bis[(4-hydrogenphosphonate)phenyl]-1,5,3,7-diazadiphosphocine} nickel(II) bromide (hydrogen bromide adduct)
PRICE INQUIRYCatalog Number
ACM1514896399
Product Name
Bis{P,P'-1,5-diphenyl-3,7-bis[(4-hydrogenphosphonate)phenyl]-1,5,3,7-diazadiphosphocine} nickel(II) bromide (hydrogen bromide adduct)
CAS
1514896-39-9
Synonyms
[4-[3,7-Diphenyl-5-[4-(phosphonatomethyl)phenyl]-1,5,3,7-diazadiphosphocane-3,7-diium-1-yl]phenyl]methyl-dioxido-oxo-lambda5-phosphane;hydron;nickel(2+);trihydrobromide
IUPAC Name
[4-[3,7-diphenyl-5-[4-(phosphonatomethyl)phenyl]-1,5,3,7-diazadiphosphocane-3,7-diium-1-yl]phenyl]methyl-dioxido-oxo-λ5-phosphane;hydron;nickel(2+);trihydrobromide;
Molecular Weight
1588.4
Molecular Formula
C60H73Br3N4NiO12P8
Canonical SMILES
[H+].[H+].[H+].[H+].[H+].[H+].C1N(C[PH+](CN(C[PH+]1C2=CC=CC=C2)C3=CC=C(C=C3)CP(=O)([O-])[O-])C4=CC=CC=C4)C5=CC=C(C=C5)CP(=O)([O-])[O-].C1N(C[PH+](CN(C[PH+]1C2=CC=CC=C2)C3=CC=C(C=C3)CP(=O)([O-])[O-])C4=CC=CC=C4)C5=CC=C(C=C5)CP(=O)([O-])[O-].[Ni+2].Br.Br.Br
InChI
InChI=1S/2C30H34N2O6P4.3BrH.Ni/c2*33-41(34,35)19-25-11-15-27(16-12-25)31-21-39(29-7-3-1-4-8-29)22-32(24-40(23-31)30-9-5-2-6-10-30)28-17-13-26(14-18-28)20-42(36,37)38;/h2*1-18H,19-24H2,(H2,33,34,35)(H2,36,37,38);3*1H;/q;+2/p+2
InChI Key
FDCPITJZBPJDQF-UHFFFAOYSA-P
Purity
98%
Appearance
Red brown crystal
Complexity
1780
Covalently-Bonded Unit Count
12
Defined Atom Stereocenter Count
0
Exact Mass
1586.0009
Formal Charge
4
H-Bond Acceptor
16
H-Bond Donor
9
Heavy Atom Count
88
Monoisotopic Mass
1584.00295
Rotatable Bond Count
12
Topological Polar Surface Area
266 Ų
Application
Bis{P,P'-1,5-diphenyl-3,7-bis[(4-hydrogenphosphonate)phenyl]-1,5,3,7-diazadiphosphocine} nickel(II) bromide (hydrogen bromide adduct) is designed to serve as a synthetic nickel catalyst specifically for the photocatalytic reduction of aqueous protons into hydrogen. It features phosphonate anchor groups that facilitate its immobilization on metal oxide semiconductor surfaces, which in turn enables efficient light-driven hydrogen evolution.
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