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Title: Neutron diffraction studies of a four-coordinated hydride in near square-planar geometry

Journal Article · · Inorganic Chemistry
DOI:https://doi.org/10.1021/ic501747e· OSTI ID:1163591
 [1];  [1];  [2];  [3];  [3];  [1]
  1. National Dong Hwa Univ., Hualien (Taiwan)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  3. CNRS-Univ. de Rennes, Rennes (France)
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The structure of a nanospheric polyhydrido copper cluster, [Cu20(H)11{S2P(OiPr)2}9], was determined by single-crystal neutron diffraction. Cu20 cluster consists of an elongated triangular orthobicupola constructed from 18 Cu atoms that encapsulate a [Cu2H5}3- ion in the center with an exceptionally short Cu-Cu distance. The eleven hydrides in the cluster display three different coordination modes to the Cu atoms: Six μ3-hydrides in pyramidal geometry, two μ4-hydrides in tetrahedral cavity, and three μ4-hydrides in an unprecedented near square-planar geometry. The neutron data set was collected on a small crystal of the size 0.20 mm x 0.50 mm x 0.65 mm for seven days using the Spallation Neutron Source TOPAZ single-crystal time-of-flight Laue diffractometer at the Oak Ridge National Laboratory. Furthermore, the final R-factor is 8.64% for 16014 reflections.

Research Organization:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
AC05-00OR22725
OSTI ID:
1163591
Journal Information:
Inorganic Chemistry, Vol. 53, Issue 20; ISSN 0020-1669
Publisher:
American Chemical Society (ACS)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 58 works
Citation information provided by
Web of Science

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Cited By (18)

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
Neutron Instruments for Research in Coordination Chemistry: Neutron Instruments for Research in Coordination Chemistry journal January 2019
Copper( i ) diselenocarbamate clusters: synthesis, structures and single-source precursors for Cu and Se composite materials journal January 2015
[Cu 13 {S 2 CN n Bu 2 } 6 (acetylide) 4 ] + : A Two-Electron Superatom journal October 2016
[Ag 21 {S 2 P(O i Pr) 2 } 12 ] + : An Eight-Electron Superatom journal January 2015
[Ag 21 {S 2 P(O i Pr) 2 } 12 ] + : An Eight-Electron Superatom journal February 2015
Copper hydride clusters in energy storage and conversion journal January 2019
Synthesis of Bimetallic Copper-Rich Nanoclusters Encapsulating a Linear Palladium Dihydride Unit journal March 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
[Ag 20 {S 2 P(OR) 2 } 12 ]: A Superatom Complex with a Chiral Metallic Core and High Potential for Isomerism journal June 2016
Synthesis and Characterization of a Cu 14 Hydride Cluster Supported by Neutral Donor Ligands journal February 2015
A suite-level review of the neutron single-crystal diffraction instruments at Oak Ridge National Laboratory journal September 2018
[Cu 32 (H) 20 {S 2 P(O i Pr) 2 } 12 ]: The Largest Number of Hydrides Recorded in a Molecular Nanocluster by Neutron Diffraction journal April 2015
A Fluxional Cu 8 H 6 Cluster Supported by Bis(diphenylphosphino)methane and its Facile Reaction with CO 2 journal May 2017
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
Synthesis, Structural Characterization, and H 2 Evolution Study of a Spheroid-Shape Hydride-Rich Copper Nanocluster journal March 2018
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
Synthesis of Bimetallic Copper‐Rich Nanoclusters Encapsulating a Linear Palladium Dihydride Unit journal March 2019

Linked Research (1)

Figures / Tables (6)

Table 1(p. 17)table Table 1
Table 2(p. 17)table Table 2
Figure 1(p. 18)figure Figure 1
Figure 2(p. 19)figure Figure 2
Figure 3(p. 19)figure Figure 3
Figure 4(p. 20)figure Figure 4

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Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
neutron
single crystal diffraction
hydride
copper cluster