Cu32 (H)20 {S2 P(OiPr)2 }12 ]: The Largest Number of Hydrides Recorded in a Molecular Nanocluster by Neutron Diffraction.

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 ]. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Citation

Rajendra S Dhayal, Jian-Hong Liao, Samia Kahlal, Xiaoping Wang, Yu-Chiao Liu, Ming-Hsi Chiang, Werner E van Zyl, Jean-Yves Saillard, C W Liu. Cu32 (H)20 {S2 P(OiPr)2 }12 ]: The Largest Number of Hydrides Recorded in a Molecular Nanocluster by Neutron Diffraction. Chemistry (Weinheim an der Bergstrasse, Germany). 2015 Jun 1;21(23):8369-74

PMID: 25899822

search → result