Shu-Hua Ou

Chinese Academy of Sciences

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Jia-Rong Zhou

South China Agricultural University

Le-Min Yang

South China Agricultural University

Jin-Ni Li

South China Agricultural University

Xiaoxu Zheng

Georgia State University

Chun-Lin Ni

South China Agricultural University

Qian-Ting Liu

South China Agricultural University

Tongmei Ma

South China University of Technology

Sheng‐Gui He

Chinese Academy of Sciences

Xiao‐Na Li

Beijing Institute of Technology

Cui-Ping Luo

South China Agricultural University

Cooperative Institutions

South China Agricultural University

Chinese Academy of Sciences

Institute of Chemistry

South China University of Technology

Beijing National Laboratory for Molecular Sciences

Xiamen University

Xiamen University of Technology

University of Chinese Academy of Sciences

Northwest A&F University

University of Science and Technology Beijing

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CCDC 1037195: Experimental Crystal Structure Determination

The Cambridge Structural Database (2015)

Tian Hu Bing‐Wu Wang Wanqi Zheng Xiao-Geng Zheng Qian-Ting Liu

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Crystal (programming language)

10.5517/cc13t8x3

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An Eight-Atom Iridium–Aluminum Oxide Cluster IrAlO₆⁺ Catalytically Oxidizes Six CO Molecules

The Journal of Physical Chemistry Letters (2019)

Xiao‐Na Li Li‐Xue Jiang Lina Wang Shu-Hua Ou Meiqi Zhang

Fundamental understanding regarding oxygen storage capacity involving how and why an active site can buffer a large number of oxygen atoms in redox processes is vital to the design of advanced oxygen storage materials, while it is challenging because of the complexity of heterogeneous catalysis. Herein, we identified that an eight-atom iridium-aluminum oxide cluster IrAlO6+ can transfer all the oxygen atoms to catalytically oxidize six CO molecules. This finding represents a breakthrough in cluster catalysis where at most three oxygen atoms from a heteronuclear metal oxide cluster can be catalytically involved in CO oxidation. We found that oxygen prefers to be stored on aluminum to form an O3-• radical in the energetically unfavorable IrAlO6+ isomer and generate the low-coordinated iridium that is pivotal to capturing CO and triggering the catalysis. The powerful electron cycling capability of iridium and the cooperative iridium-aluminum interplay are emphasized to drive the oxygen atom-transfer behavior.

Aluminum Oxide

10.1021/acs.jpclett.9b03056

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CCDC 1037196: Experimental Crystal Structure Determination

The Cambridge Structural Database (2015)

Tian Hu Bing‐Wu Wang Wanqi Zheng Xiao-Geng Zheng Qian-Ting Liu

Crystal (programming language)

10.5517/cc13t8y4

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Syntheses, crystal structures, luminescent and magnetic properties of two molecular solids containing naphthylmethylene triphenylphosphinium cations and tetra(isothiocyanate)cobalt(II) dianion

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy (2015)

Hua-Tang Cai Qian-Ting Liu Hui-Qing Ye Li-Jie Su Xiaoxu Zheng

Monoclinic crystal system

Orthorhombic crystal system

Molar conductivity

10.1016/j.saa.2015.01.098

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Citations (15)

CCDC 1048810: Experimental Crystal Structure Determination

The Cambridge Structural Database (2015)

Yin Liu Shu-Hua Ou Jin-Ni Li Xiao-Lan Liao Xiaoxu Zheng

10.5517/cc146cl9

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CCDC 1048809: Experimental Crystal Structure Determination

The Cambridge Structural Database (2015)

Yin Liu Shu-Hua Ou Jin-Ni Li Xiao-Lan Liao Xiaoxu Zheng

10.5517/cc146ck8

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CCDC 1048811: Experimental Crystal Structure Determination

The Cambridge Structural Database (2015)

Yin Liu Shu-Hua Ou Jin-Ni Li Xiao-Lan Liao Xiaoxu Zheng

10.5517/cc146cmb

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Syntheses, crystal structures, weak interaction, magnetic and photoluminescent properties of two new organic–inorganic molecular solids with disubstituted benzyl triphenylphosphinium and tetra(isothiocyanate)cobalt(II) anion

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy (2015)

Tian Hu Bing‐Wu Wang Wanqi Zheng Xiao-Geng Zheng Qian-Ting Liu

Triclinic crystal system

Monoclinic crystal system

10.1016/j.saa.2015.06.120

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Citations (1)

Three ion–pair complexes containing bis(maleonitriledithiolate)copper(II) anion and substituted 2-aminopyridinium cations: Syntheses, crystal structures, and magnetic properties

Journal of Molecular Structure (2015)

Yin Liu Shu-Hua Ou Jin-Ni Li Xiao-Lan Liao Xiaoxu Zheng

Monoclinic crystal system

10.1016/j.molstruc.2015.12.065

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Citations (1)

CO Oxidation Catalyzed by the Neutral Cluster IrAl₂O₈ with Iridium in a High Oxidation State of VI

The Journal of Physical Chemistry (2020)

Shu-Hua Ou Jiaojiao Chen Xiao‐Na Li Tongmei Ma Sheng‐Gui He

Metals with high oxidation states (HOSs) (e.g., +V to +X) are of great interest to chemists, although it is challenging to trigger the reactivity of metals with HOSs, because they are usually highly coordinated to block the approach of reactants. Herein, benefiting from the study of a neutral iridium–aluminum oxide cluster IrAl₂O₈ that can catalytically oxidize four CO molecules, the reactivity of iridium with nearly a +VI oxidation state was identified. In heteronuclear metal oxide clusters, the exposed metal sites with oxidation states lower than +III have been commonly observed to capture reactants for subsequent reactions. However, the embedded Irⱽᴵ⁺ site in the IrAl₂O₈ cluster is 4-fold coordinated by oxygen atoms, and the direct interaction between Irⱽᴵ⁺ and CO is weak. The unique reactivity of Irⱽᴵ⁺ toward CO oxidation has been emphasized. The crucial roles of the oxygen atoms coordinated with Irⱽᴵ⁺ to modify the electronic structure of Ir during CO oxidation were highlighted.

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