[Cu32(H)​20{S2P(OiPr)​2}​12]​: The Largest Number of Hydrides Recorded in a Molecular Nanocluster by Neutron Diffraction - Université de Rennes Accéder directement au contenu
Article Dans Une Revue Chemistry - A European Journal Année : 2015

[Cu32(H)​20{S2P(OiPr)​2}​12]​: The Largest Number of Hydrides Recorded in a Molecular Nanocluster by Neutron Diffraction

Résumé

An air- and moisture-stable nanoscale polyhydrido copper cluster [Cu32 (H)20 {S2 P(OiPr)2 }12 ] (1H ) was synthesized and structurally characterized. The molecular structure of 1H exhibits a hexacapped pseudo-rhombohedral core of 14 Cu atoms sandwiched between two nestlike triangular cupola fragments of (2×9) Cu atoms in an elongated triangular gyrobicupola polyhedron. The discrete Cu32 cluster is stabilized by 12 dithiophosphate ligands and a record number of 20 hydride ligands, which were found by high-resolution neutron diffraction to exhibit tri-, tetra-, and pentacoordinated hydrides in capping and interstitial modes. This result was further supported by a density functional theory investigation on the simplified model [Cu32 (H)20 (S2 PH2 )12 ].

Dates et versions

hal-01155101 , version 1 (26-05-2015)

Identifiants

Citer

Rajendra S. Dhayal, Jian-Hong Liao, Samia Kahlal, Xiaoping Wang, Yu-Chiao Liu, et al.. [Cu32(H)​20{S2P(OiPr)​2}​12]​: The Largest Number of Hydrides Recorded in a Molecular Nanocluster by Neutron Diffraction. Chemistry - A European Journal, 2015, 21 (23), pp.8369. ⟨10.1002/chem.201501122⟩. ⟨hal-01155101⟩
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