%0 Journal Article %T Synthesis of Bimetallic Copper-Rich Nanoclusters Encapsulating a Linear Palladium Dihydride Unit %+ National Dong Hwa University (NDHU) %+ Oak Ridge National Laboratory [Oak Ridge] (ORNL) %+ Institut des Sciences Chimiques de Rennes (ISCR) %+ Academia Sinica %A Chakrahari, Kiran Kumarvarma %A Silalahi, Rhone P Brocha %A Chiu, Tzu-Hao %A Wang, Xiaoping %A Azrou, Nadia %A Kahlal, Samia %A Liu, Yu-Chiao %A Chiang, Ming-Hsi %A Saillard, Jean-Yves %A Liu, C W %Z MOST 106-2113-M-259-010, Ministry of Science and Technology in Taiwan %Z DE-AC05-00OR22725, Division of Scientific User Facilities, Office of Science, U.S. Department of Energy %< avec comité de lecture %@ 1433-7851 %J Angewandte Chemie International Edition %I Wiley-VCH Verlag %V 58 %N 15 %P 4943-4947 %8 2019-03-13 %D 2019 %R 10.1002/anie.201814264 %M 30770621 %K copper %K hydrides %K nanoclusters %K neutron diffraction %K palladium %Z Chemical Sciences/Coordination chemistryJournal articles %X The structurally precise Cu-rich hydride nanoclusters [PdCu H (dtc/dtp) (C≡CPh) ] (dtc: di-butyldithiocarbamate (1); dtp: di-isopropyl dithiophosphate (2)) were synthesized from the reaction of polyhydrido copper clusters [Cu H (S CN Bu ) ] or [Cu H {S P(O Pr) } ] with phenyl acetylene in the presence of Pd(PPh ) Cl . Their structures and compositions were determined by single-crystal X-ray diffraction and the results supported by ESI-mass spectrometry. Hydride positions in 1 were confirmed by single-crystal neutron diffraction. Each hydride is connected to one Pd and four Cu atoms in slightly distorted trigonalbipyramidal geometry. The anatomies of clusters 1 and 2 are very similar and DFT calculations allow rationalizing the interactions between the encapsulated [PdH ] unit and its Cu bicapped icosahedral cage. As a result, Pd has the highest coordination number (14) so far recorded. %G English %2 https://univ-rennes.hal.science/hal-02087809/document %2 https://univ-rennes.hal.science/hal-02087809/file/Chakrahari_et_al-Synthesis_of_Bimetallic_Copper-Rich_Nanoclusters_Encapsulating_a_Linear.pdf %L hal-02087809 %U https://univ-rennes.hal.science/hal-02087809 %~ UNIV-RENNES1 %~ CNRS %~ INSA-RENNES %~ ENSC-RENNES %~ ISCR %~ ISCR-CTI %~ STATS-UR1 %~ UR1-SPM %~ GENCI %~ INC-CNRS %~ UR1-UFR-SPM %~ UR1-HAL %~ UR1-SDLM %~ TEST-UR-CSS %~ UNIV-RENNES %~ INSA-GROUPE %~ TEST-HALCNRS %~ ANR %~ UR1-MMS %~ TEST2-HALCNRS