title: Phosphinothiolates as ligands for polyhydrido copper nanoclusters.
abstract: The reaction of [CuI(HSC6 H4 PPh2 )]2 with NaBH4 in CH2 Cl2 /EtOH led to air- and moisture-stable copper hydride nanoparticles (CuNPs) containing phosphinothiolates as new ligands, one of which was isolated by crystallization. The X-ray crystal structure of [Cu18 H7 L10 I] (L=(-) S(C6 H4 )PPh2 ) shows unprecedented features in its 28-atom framework (18 Cu and 10 S atoms). Seven hydrogen atoms, in hydride form, are needed for charge balance and were located by density functional theory methods. H2 was released from the copper hydride nanoparticles by thermolysis and visible light irradiation.
authors.affiliation: Institute of Chemical Research of Catalonia (ICIQ), Avinguda Països Catalans 16, 43007 Tarragona (Spain).
authors.forename: Miguel A
authors.initials: MA
authors.lastname: Huertos
authors.forename: Israel
authors.initials: I
authors.lastname: Cano
authors.forename: Nuno A G
authors.initials: NA
authors.lastname: Bandeira
authors.forename: Jordi
authors.initials: J
authors.lastname: Benet-Buchholz
authors.forename: Carles
authors.initials: C
authors.lastname: Bo
authors.forename: Piet W N M
authors.initials: PW
authors.lastname: van Leeuwen
keywords: P,S ligands; copper; density functional calculations; hydrides; nanoclusters