Entrapped planar trimetallic carbide in a fullerene cage: Synthesis, isolation, and spectroscopic studies of Lu3C2@C 88

Wei Xu; Tai Shan Wang; Jing Yi Wu; Yi Han Ma; Jun Peng Zheng; Hui Li; Bao Wang; Li Jiang; Chun Ying Shu; Chun Ru Wang

doi:10.1021/jp1087459

Entrapped planar trimetallic carbide in a fullerene cage: Synthesis, isolation, and spectroscopic studies of Lu₃C₂@C ₈₈

Wei Xu, Tai Shan Wang, Jing Yi Wu, Yi Han Ma, Jun Peng Zheng, Hui Li, Bao Wang, Li Jiang, Chun Ying Shu^*, Chun Ru Wang

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

35 Citations (Scopus)

Abstract

We report the preparation, isolation, and spectroscopic characterizations of a novel endofullerene Lu₃C₂@C₈₈, where a planar trimetallic carbide cluster Lu₃C₂ is encapsulated by D₂-symmetric C₈₈ cage. Meanwhile, the trimetallic nitride endofullerene Lu₃N@C₈₈ was also isolated and characterized for comparison. The results revealed that both metal carbide Lu₃C₂ and metal nitride Lu₃N share the same D₂-symmetric C₈₈ cage. Theoretical studies revealed that the internal moieties supply the C₈₈ cage with six electrons in both Lu₃N@C₈₈ and Lu₃C₂@C₈₈ cases; however, Lu₃N@C₈₈ has a closed-shell electronic structure and Lu₃C₂@C₈₈ owns an unpaired electron localized on the internal [Lu₃C₂]⁶⁺ moiety. The different molecular electronic structures of Lu₃C ₂@C₈₈ and Lu₃N@C₈₈ lead to distinct differences on both the UV-vis absorption spectral features and their electrochemical redox properties.

Original language	English
Pages (from-to)	402-405
Number of pages	4
Journal	Journal of Physical Chemistry C
Volume	115
Issue number	2
DOIs	https://doi.org/10.1021/jp1087459
Publication status	Published - 20 Jan 2011
Externally published	Yes

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title = "Entrapped planar trimetallic carbide in a fullerene cage: Synthesis, isolation, and spectroscopic studies of Lu3C2@C 88",

abstract = "We report the preparation, isolation, and spectroscopic characterizations of a novel endofullerene Lu3C2@C88, where a planar trimetallic carbide cluster Lu3C2 is encapsulated by D2-symmetric C88 cage. Meanwhile, the trimetallic nitride endofullerene Lu3N@C88 was also isolated and characterized for comparison. The results revealed that both metal carbide Lu3C2 and metal nitride Lu3N share the same D2-symmetric C88 cage. Theoretical studies revealed that the internal moieties supply the C88 cage with six electrons in both Lu3N@C88 and Lu3C2@C88 cases; however, Lu3N@C88 has a closed-shell electronic structure and Lu3C2@C88 owns an unpaired electron localized on the internal [Lu3C2]6+ moiety. The different molecular electronic structures of Lu3C 2@C88 and Lu3N@C88 lead to distinct differences on both the UV-vis absorption spectral features and their electrochemical redox properties.",

author = "Wei Xu and Wang, {Tai Shan} and Wu, {Jing Yi} and Ma, {Yi Han} and Zheng, {Jun Peng} and Hui Li and Bao Wang and Li Jiang and Shu, {Chun Ying} and Wang, {Chun Ru}",

year = "2011",

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doi = "10.1021/jp1087459",

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journal = "Journal of Physical Chemistry C",

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T1 - Entrapped planar trimetallic carbide in a fullerene cage

T2 - Synthesis, isolation, and spectroscopic studies of Lu3C2@C 88

AU - Xu, Wei

AU - Wang, Tai Shan

AU - Wu, Jing Yi

AU - Ma, Yi Han

AU - Zheng, Jun Peng

AU - Li, Hui

AU - Wang, Bao

AU - Jiang, Li

AU - Shu, Chun Ying

AU - Wang, Chun Ru

PY - 2011/1/20

Y1 - 2011/1/20

N2 - We report the preparation, isolation, and spectroscopic characterizations of a novel endofullerene Lu3C2@C88, where a planar trimetallic carbide cluster Lu3C2 is encapsulated by D2-symmetric C88 cage. Meanwhile, the trimetallic nitride endofullerene Lu3N@C88 was also isolated and characterized for comparison. The results revealed that both metal carbide Lu3C2 and metal nitride Lu3N share the same D2-symmetric C88 cage. Theoretical studies revealed that the internal moieties supply the C88 cage with six electrons in both Lu3N@C88 and Lu3C2@C88 cases; however, Lu3N@C88 has a closed-shell electronic structure and Lu3C2@C88 owns an unpaired electron localized on the internal [Lu3C2]6+ moiety. The different molecular electronic structures of Lu3C 2@C88 and Lu3N@C88 lead to distinct differences on both the UV-vis absorption spectral features and their electrochemical redox properties.

AB - We report the preparation, isolation, and spectroscopic characterizations of a novel endofullerene Lu3C2@C88, where a planar trimetallic carbide cluster Lu3C2 is encapsulated by D2-symmetric C88 cage. Meanwhile, the trimetallic nitride endofullerene Lu3N@C88 was also isolated and characterized for comparison. The results revealed that both metal carbide Lu3C2 and metal nitride Lu3N share the same D2-symmetric C88 cage. Theoretical studies revealed that the internal moieties supply the C88 cage with six electrons in both Lu3N@C88 and Lu3C2@C88 cases; however, Lu3N@C88 has a closed-shell electronic structure and Lu3C2@C88 owns an unpaired electron localized on the internal [Lu3C2]6+ moiety. The different molecular electronic structures of Lu3C 2@C88 and Lu3N@C88 lead to distinct differences on both the UV-vis absorption spectral features and their electrochemical redox properties.

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JO - Journal of Physical Chemistry C

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Entrapped planar trimetallic carbide in a fullerene cage: Synthesis, isolation, and spectroscopic studies of Lu₃C₂@C ₈₈

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