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203 results on '"Barik, Subrat Kumar"'

5. Novel Application of Electrolysis on Vehicle: Hydrogen Fuel Cell

Author

Rejeti, Pavan Kumar, Barik, Subrat Kumar, Balakrishna, S., Cavas-Martínez, Francisco, Series Editor, Chaari, Fakher, Series Editor, di Mare, Francesca, Series Editor, Gherardini, Francesco, Series Editor, Haddar, Mohamed, Series Editor, Ivanov, Vitalii, Series Editor, Kwon, Young W., Series Editor, Trojanowska, Justyna, Series Editor, Deepak, B. B. V. L., editor, Parhi, D.R.K., editor, Biswal, B.B., editor, and Jena, Pankaj C., editor

Published
2022
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50. Polyhydrido Copper Nanoclusters with a Hollow Icosahedral Core [Cu30H18{E2P(OR)2}12] (E = S or Se; R = n Pr, i Pr or i Bu)

Author

Barik, Subrat Kumar, Huo, Shou-Chih, Wu, Chun-Yen, Chiu, Tzu-Hao, Liao, Jian-Hong, Wang, Xiaoping, Kahlal, Samia, Saillard, Jean-Yves, Liu, Chen-Wei, National Dong Hwa University (NDHU), Oak Ridge National Laboratory [Oak Ridge] (ORNL), UT-Battelle, LLC, Institut des Sciences Chimiques de Rennes (ISCR), Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), 108-2923-M-259-001, Ministry of Science and Technology, Taiwan, ANR-18-CE09-0037,Nanoalloys,Alliages superatomiques et de structure précise riches en argent et en cuivre(2018), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), and Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA)

Subjects
ligand exchange, copper, hydride, nanocluster, [CHIM.COOR]Chemical Sciences/Coordination chemistry, palladium
Abstract

International audience; Although atomically precise polyhydrido copper nanoclusters are of prime interest for a variety of applications, they have so far remained scarce. Herein, this work describes the synthesis of a dithiophosphate-protected copper(I) hydride-rich nanocluster (NC), [Cu H {S P(OnPr) } ] (1 ), fully characterized by various spectroscopic methods and single-crystal X-ray diffraction. The X-ray structure of 1 reveals an unprecedented central Cu hollow icosahedron. Six faces of this icosahedron are capped by Cu triangles, the whole Cu core being wrapped by twelve dithiophosphate ligands and the whole cluster has ideal S symmetry. The locations of the 18 hydrides in 1 were ascertained by a single-crystal neutron diffraction study. They are composed of three types: capping μ -H, interstitial μ -H (seesaw) and μ -H ligands (square pyramidal), in good agreement with the DFT simulations. The numbers of hydrides and ligand resonances in the H NMR spectrum of 1 are in line with their coordination environment in the solid state, retaining the S symmetry in solution. Furthermore, two new Se-protected polyhydrido copper nanoclusters, [Cu H {Se P(OR) } ] (2 : R=iPr 3 : R=iBu) were synthesized from their sulfur relative 1 via ligand displacement reaction and their X-ray structures feature the exceptional case where both the NC shape and size are fully conserved during the course of ligand exchange. DFT and TD-DFT calculations allow understanding the bonding and optical properties of clusters 1 -3 . In addition, the reaction of 1 with [Pd(PPh ) Cl ] in the presence of terminal alkynes led to the formation of new bimetallic Cu-Pd alloy clusters [PdCu H {S P(OnPr) } (C≡CR) ] (4: R=Ph; 5: R=C H F).

Published
2020
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