Volume 137, Issue 8 e202419089
Zuschrift

Observation of the Smallest Three-Dimensional Neutral Boron Cluster

Cong-Qiao Xu

Cong-Qiao Xu

Department of Chemistry and Guangdong Provincial Key Laboratory of Catalytic Chemistry, Southern University of Science and Technology, Shenzhen 518055, China

] C.Q.X. and T.W. contributed equally to this work.

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Tiantong Wang

Tiantong Wang

State Key Laboratory of Molecular Reaction Dynamics and Dalian Coherent Light Source, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China

] C.Q.X. and T.W. contributed equally to this work.

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Chong Wang

Chong Wang

State Key Laboratory of Molecular Reaction Dynamics and Dalian Coherent Light Source, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China

Institute of Advanced Science Facilities, Shenzhen 518107, China

Department of Chemical Physics, University of Science and Technology of China, Hefei 230026, China

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Xin-Ran Dong

Xin-Ran Dong

Department of Chemistry and Guangdong Provincial Key Laboratory of Catalytic Chemistry, Southern University of Science and Technology, Shenzhen 518055, China

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Huijun Zheng

Huijun Zheng

State Key Laboratory of Molecular Reaction Dynamics and Dalian Coherent Light Source, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China

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Ya Zhao

Ya Zhao

State Key Laboratory of Molecular Reaction Dynamics and Dalian Coherent Light Source, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China

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Li-Li Pan

Li-Li Pan

Department of Chemistry and Engineering Research Center of Advanced Rare-Earth Materials of Ministry of Education, Tsinghua University, Beijing 100084, China

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Jiayue Yang

Jiayue Yang

State Key Laboratory of Molecular Reaction Dynamics and Dalian Coherent Light Source, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China

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Weiqing Zhang

Weiqing Zhang

State Key Laboratory of Molecular Reaction Dynamics and Dalian Coherent Light Source, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China

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Guorong Wu

Guorong Wu

State Key Laboratory of Molecular Reaction Dynamics and Dalian Coherent Light Source, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China

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Hua Xie

Hua Xie

State Key Laboratory of Molecular Reaction Dynamics and Dalian Coherent Light Source, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China

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Gang Li

Corresponding Author

Gang Li

State Key Laboratory of Molecular Reaction Dynamics and Dalian Coherent Light Source, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China

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Jun Li

Corresponding Author

Jun Li

Department of Chemistry and Guangdong Provincial Key Laboratory of Catalytic Chemistry, Southern University of Science and Technology, Shenzhen 518055, China

Department of Chemistry and Engineering Research Center of Advanced Rare-Earth Materials of Ministry of Education, Tsinghua University, Beijing 100084, China

Fundamental Science Center of Rare Earths, Ganjiang Innovation Academy, Chinese Academy of Science, Ganzhou 341000, China

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Ling Jiang

Corresponding Author

Ling Jiang

State Key Laboratory of Molecular Reaction Dynamics and Dalian Coherent Light Source, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China

Hefei National Laboratory, Hefei 230088, China

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Xueming Yang

Xueming Yang

Department of Chemistry and Guangdong Provincial Key Laboratory of Catalytic Chemistry, Southern University of Science and Technology, Shenzhen 518055, China

State Key Laboratory of Molecular Reaction Dynamics and Dalian Coherent Light Source, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China

Institute of Advanced Science Facilities, Shenzhen 518107, China

Hefei National Laboratory, Hefei 230088, China

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Lai-Sheng Wang

Corresponding Author

Lai-Sheng Wang

Department of Chemistry, Brown University, Providence, Rhode Island 02912, United States

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First published: 14 January 2025

Abstract

Despite major progress in the investigation of boron cluster anions, direct experimental study of neutral boron clusters remains a significant challenge because of the difficulty in size selection. Here we report a size-specific study of the neutral B9 cluster using threshold photoionization with a tunable vacuum ultraviolet free electron laser. The ionization potential of B9 is measured to be 8.45±0.02 eV and it is found to have a heptagonal bipyramid D7h structure, quite different from the planar molecular wheel of the B9- anionic cluster. Chemical bonding analyses reveal superior stability of the bipyramidal structure arising from delocalized σ and π bonding interactions within the B7 ring and between the B7 ring and the capping atoms. Photoionization of B9 breaks the single-electron B-B bond of the capping atoms, which undergo off-axis distortion to enhance interactions with the B7 ring in the singlet ground state of B9+. The single-electron B-B bond of the capping atoms appears to be crucial in stabilizing the D7h structure of B9. This work opens avenues for direct size-dependent experimental studies of a large variety of neutral boron clusters to explore the stepwise development of network structures.

Data Availability Statement

The data that support the findings of this study are available from the corresponding author upon reasonable request.

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