Ir3Ge20: A 3n-Connected Cloverleaf-Shaped Supercluster
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arXiv
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| Main Authors: | , , , , , , |
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| Format: | Preprint |
| Published: |
2026
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| _version_ | 1866911357627006976 |
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| author | Wu, Xue Dai, Wen-Shuai Li, Lulu Hao, Fangying Xu, Hong-Guang Zheng, Wei-Jun Zhao, Jijun |
| author_facet | Wu, Xue Dai, Wen-Shuai Li, Lulu Hao, Fangying Xu, Hong-Guang Zheng, Wei-Jun Zhao, Jijun |
| contents | Group 14 Zintl clusters are promising molecular building blocks for nanoscale architecture. Endohedral variants, which encapsulate d/f-block metals within p-block semimetal cages, provide insights into intermetallic bonding and compound formation. In this study, experimental photoelectron spectroscopy and first-principles calculations were used to investigate the Ir-doped germanium cluster species. A new C2v symmetric building block, IrGe12, was identified, serving as the basis for designing the supercluster Ir3Ge20 with a cloverleaf-shaped, D3h symmetric architecture. This structure consists of three interconnected aromatic IrGe12 units linked by Ge-Ge sigma bonds, forming shielding cones. Ir3Ge20 follows the 5n rule with 100 valence electrons, featuring a core-Ir3 unit with a d10 closed-shell configuration sharing electrons with the Ge20 skeleton. The stability, chemical bonding, and aromaticity of Ir3Ge20 were confirmed, demonstrating a novel approach to precise atom manipulation in cluster-based materials and devices. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2601_03524 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Ir3Ge20: A 3n-Connected Cloverleaf-Shaped Supercluster Wu, Xue Dai, Wen-Shuai Li, Lulu Hao, Fangying Xu, Hong-Guang Zheng, Wei-Jun Zhao, Jijun Materials Science Group 14 Zintl clusters are promising molecular building blocks for nanoscale architecture. Endohedral variants, which encapsulate d/f-block metals within p-block semimetal cages, provide insights into intermetallic bonding and compound formation. In this study, experimental photoelectron spectroscopy and first-principles calculations were used to investigate the Ir-doped germanium cluster species. A new C2v symmetric building block, IrGe12, was identified, serving as the basis for designing the supercluster Ir3Ge20 with a cloverleaf-shaped, D3h symmetric architecture. This structure consists of three interconnected aromatic IrGe12 units linked by Ge-Ge sigma bonds, forming shielding cones. Ir3Ge20 follows the 5n rule with 100 valence electrons, featuring a core-Ir3 unit with a d10 closed-shell configuration sharing electrons with the Ge20 skeleton. The stability, chemical bonding, and aromaticity of Ir3Ge20 were confirmed, demonstrating a novel approach to precise atom manipulation in cluster-based materials and devices. |
| title | Ir3Ge20: A 3n-Connected Cloverleaf-Shaped Supercluster |
| topic | Materials Science |
| url | https://arxiv.org/abs/2601.03524 |