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A Nanospheric Polyhydrido Copper Cluster of Elongated Triangular Orthobicupola Array: Liberation of H2 from Solar Energy

Dhayal, Rajendra S., Liao, Jian-Hong, Lin, Yan-Ru, Liao, Ping-Kuei, Kahlal, Samia, Saillard, Jean-Yves, Liu, C. W.·2013·Journal of the American Chemical Society

Abstract

An unprecedented air-stable, nanospheric polyhydrido copper cluster, [Cu20H11(S2P(O(i)Pr)2)9] (1H), which is the first example of an elongated triangular orthobicupola array of Cu atoms having C3h symmetry, was synthesized and characterized. Its composition was primarily determined by electrospray ionization mass spectrometry, and it was fully characterized by (1)H, (2)H, and (31)P NMR spectroscopy and single-crystal X-ray diffraction (XRD). The structure of complex 1H can be expressed in terms of a trigonal-bipyramidal [Cu2H5](3-) unit anchored within an elongated triangular orthobicupola containing 18 Cu atoms, which is further stabilized by 18 S atoms from nine dithiophosphate ligands and six capping hydrides. The positions of the 11 hydrides revealed by low temperature XRD were supported by a density functional theory investigation on the simplified model [Cu20H11(S2PH2)9] with C3h symmetry. 1H is capable of releasing H2 gas upon irradiation with sunlight, under mild thermal conditions (65 °C), or in the presence of acids at room temperature.

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Metadata

Authors
Dhayal, R. S., Liao, J.-H., Lin, Y.-R., Liao, P.-K., Kahlal, S., Saillard, J.-Y., & Liu, C. W.
Venue
Journal of the American Chemical Society
Published
2013-03-14
Volume
135
Issue
12
Pages
4704-4707
ISSN
  • 0002-7863 (ISSN-L)
  • 1520-5126
OpenAlex
W2321452580
Cited by
171
References
1
FWCI
6.60
Type
journal article
Language
en
Open access
closed

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