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[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 Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
Ministry of Science and Technology of Taiwan; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Grant/Contract Number:
AC05-00OR22725
OSTI ID:
1261439
Journal Information:
Chemistry - A European Journal, Journal Name: Chemistry - A European Journal Journal Issue: 23 Vol. 21; ISSN 0947-6539
Publisher:
ChemPubSoc EuropeCopyright Statement
Country of Publication:
United States
Language:
English

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Cited By (21)

Development of Copper Nanoclusters for In Vitro and In Vivo Theranostic Applications journal January 2020
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
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
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
Facially Dispersed Polyhydride Cu 9 and Cu 16 Clusters Comprising Apex‐Truncated Supertetrahedral and Square‐Face‐Capped Cuboctahedral Copper Frameworks journal February 2020
[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
Neutron Instruments for Research in Coordination Chemistry: Neutron Instruments for Research in Coordination Chemistry journal January 2019
Synthesis, Structural Characterization, and H 2 Evolution Study of a Spheroid-Shape Hydride-Rich Copper Nanocluster journal March 2018
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
Tailoring the photoluminescence of atomically precise nanoclusters journal January 2019
Copper hydride clusters in energy storage and conversion journal January 2019

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
X-ray crystal structure
cluster compounds
copper
copper cluster
density functional calculations
hydrides
ligands
neutron diffraction