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

Journal Article · · Chemistry - A European Journal
 [1];  [1];  [2];  [3];  [4];  [4];  [5];  [2];  [1]
  1. National Dong Hwa Univ., Shoufeng (Taiwan)
  2. Univ. de Rennes, Rennes (France). Inst. of Chemical Sciences
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical and Engineering Materials Division
  4. Academia Sinica Nankang, Taipei (Taiwan). Inst.of Chemistry
  5. Univ. of KwaZulu-Natal, Durban (South Africa). School of Chemistry and Physics,
+ Show Author Affiliations

An air- and moisture-stable nanoscale polyhydrido copper cluster [Cu32(H)20{S2P(O i Pr)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 (2x9) 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. We conclude that this result was further supported by a density functional theory investigation on the simplified model [Cu32(H)20(S2PH2)12].

Research Organization:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES); Ministry of Science and Technology of Taiwan
Grant/Contract Number:
AC05-00OR22725; MOST 103-2113-M-259-003-MY3
OSTI ID:
1261439
Journal Information:
Chemistry - A European Journal, Vol. 21, Issue 23; ISSN 0947-6539
Publisher:
ChemPubSoc EuropeCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 84 works
Citation information provided by
Web of Science

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Cited By (20)

Development of Copper Nanoclusters for In Vitro and In Vivo Theranostic Applications journal January 2020
Ether‐Soluble Cu 53 Nanoclusters as an Effective Precursor of High‐Quality CuI Films for Optoelectronic Applications journal December 2018
Facially Dispersed Polyhydride Cu 9 and Cu 16 Clusters Comprising Apex‐Truncated Supertetrahedral and Square‐Face‐Capped Cuboctahedral Copper Frameworks journal December 2019
Diselenophosphate-Induced Conversion of an Achiral [Cu 20 H 11 {S 2 P(O i Pr) 2 } 9 ] into a Chiral [Cu 20 H 11 {Se 2 P(O i Pr) 2 } 9 ] Polyhydrido Nanocluster journal September 2015
[Cu 13 {S 2 CN n Bu 2 } 6 (acetylide) 4 ] + : A Two-Electron Superatom journal October 2016
Molecular Magnesium Hydrides journal December 2017
Ether-Soluble Cu 53 Nanoclusters as an Effective Precursor of High-Quality CuI Films for Optoelectronic Applications journal December 2018
Synthesis of Bimetallic Copper-Rich Nanoclusters Encapsulating a Linear Palladium Dihydride Unit journal March 2019
[Ag 20 {S 2 P(OR) 2 } 12 ]: A Superatom Complex with a Chiral Metallic Core and High Potential for Isomerism journal June 2016
A Fluxional Cu 8 H 6 Cluster Supported by Bis(diphenylphosphino)methane and its Facile Reaction with CO 2 journal May 2017
Synthesis and X-Ray Crystallographic Characterisation of Frustum-Shaped Ligated [Cu 18 H 16 (DPPE) 6 ] 2+ and [Cu 16 H 14 (DPPA) 6 ] 2+ Nanoclusters and Studies on Their H 2 Evolution Reactions journal January 2018
Hexadecanuclear Copper Monothiocarbonates: An Emissive Cluster Building Block: Hexadecanuclear Copper Monothiocarbonates: An Emissive Cluster Building Block journal April 2017
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Heterodimetallic Ferrocenyl Dithiophosphonate Complexes of Nickel(II), Zinc(II) and Cadmium(II) as Sensitizers for TiO 2 ‐Based Dye‐Sensitized Solar Cells journal July 2019
Hydride Induced Formation and Optical Properties of Tetrahedral [Cu4(μ4-H)(μ2-X)2(PPh2Py)4]+ Clusters (X = Cl, Br; Py = pyridyl) journal March 2018
Copper hydride clusters in energy storage and conversion journal January 2019
Diselenophosphate-Induced Conversion of an Achiral [Cu 20 H 11 {S 2 P(O i Pr) 2 } 9 ] into a Chiral [Cu 20 H 11 {Se 2 P(O i Pr) 2 } 9 ] Polyhydrido Nanocluster journal September 2015
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Facially Dispersed Polyhydride Cu 9 and Cu 16 Clusters Comprising Apex‐Truncated Supertetrahedral and Square‐Face‐Capped Cuboctahedral Copper Frameworks journal February 2020

Linked Research (2)

Figures / Tables (3)

Figure 1.(p. 2)figure Figure 1.
Table 1.(p. 3)table Table 1.
Table 2.(p. 4)table Table 2.

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Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
cluster compounds
copper
density functional calculations
hydrides
neutron diffraction
copper cluster
X-ray crystal structure
ligands