Ho                         2                         O@C                         74: Ho                         2                         O Cluster Expands within a Small Non-IPR Fullerene Cage of C                         2                         (13333)-C                         74

Along Liu; Mingzhe Nie; Yajuan Hao; Ying Yang; Taishan Wang; Zdenek Slanina; Hailin Cong; Lai Feng; Chunru Wang; Filip Uhlik

doi:10.1021/acs.inorgchem.8b03145

Ho ₂ O@C ₇₄: Ho ₂ O Cluster Expands within a Small Non-IPR Fullerene Cage of C ₂ (13333)-C ₇₄

Along Liu, Mingzhe Nie, Yajuan Hao, Ying Yang, Taishan Wang^*, Zdenek Slanina, Hailin Cong, Lai Feng, Chunru Wang, Filip Uhlik

^*Corresponding author for this work

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

29 Citations (Scopus)

Abstract

Steering the cluster configuration inside a fullerene cage has been one of most interesting topics in the field of fullerenes, since the physical property of a cluster fullerene may be modified accordingly. It has been well-recognized that the cluster configuration can be tuned via altering the cage size. Typically, the carbide cluster and the oxide cluster are experimentally seen to be curled up within a small fullerene cage whereas they are expanded in a large cage. In this work, a new oxide cluster fullerene Ho ₂ O@C ₂ (13333)-C ₇₄ is prepared and isolated. The single-crystal X-ray diffraction (XRD) study reveals that the Ho ₂ O cluster, however, expands within the small non-IPR cage of C ₂ (13333)-C ₇₄ with a Ho-O-Ho angle of >170°, indicating that cluster configuration is highly related to the cage shape and cage structure as well. The DFT computation demonstrates that the cluster-to-cage electron-transfer obviously enhances the aromaticity of the motif containing the fused-pentagon pair and hence stabilizes the non-IPR cage of C ₂ (13333)-C ₇₄ . In addition, the electrochemical and magnetic properties of Ho ₂ O@C ₂ (13333)-C ₇₄ are studied to further investigate the effect of endohedral Ho ₂ O cluster.

Original language	English
Pages (from-to)	4774-4781
Number of pages	8
Journal	Inorganic Chemistry
Volume	58
Issue number	8
DOIs	https://doi.org/10.1021/acs.inorgchem.8b03145
Publication status	Published - 15 Apr 2019
Externally published	Yes

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Liu, A., Nie, M., Hao, Y., Yang, Y., Wang, T., Slanina, Z., Cong, H., Feng, L., Wang, C., & Uhlik, F. (2019). Ho ₂ O@C ₇₄: Ho ₂ O Cluster Expands within a Small Non-IPR Fullerene Cage of C ₂ (13333)-C ₇₄. Inorganic Chemistry, 58(8), 4774-4781. https://doi.org/10.1021/acs.inorgchem.8b03145

Liu, Along ; Nie, Mingzhe ; Hao, Yajuan et al. / Ho ₂ O@C ₇₄ : Ho ₂ O Cluster Expands within a Small Non-IPR Fullerene Cage of C ₂ (13333)-C ₇₄. In: Inorganic Chemistry. 2019 ; Vol. 58, No. 8. pp. 4774-4781.

@article{d01b49f837b34917be650e0bae965fc6,

title = "Ho 2 O@C 74: Ho 2 O Cluster Expands within a Small Non-IPR Fullerene Cage of C 2 (13333)-C 74",

abstract = " Steering the cluster configuration inside a fullerene cage has been one of most interesting topics in the field of fullerenes, since the physical property of a cluster fullerene may be modified accordingly. It has been well-recognized that the cluster configuration can be tuned via altering the cage size. Typically, the carbide cluster and the oxide cluster are experimentally seen to be curled up within a small fullerene cage whereas they are expanded in a large cage. In this work, a new oxide cluster fullerene Ho 2 O@C 2 (13333)-C 74 is prepared and isolated. The single-crystal X-ray diffraction (XRD) study reveals that the Ho 2 O cluster, however, expands within the small non-IPR cage of C 2 (13333)-C 74 with a Ho-O-Ho angle of >170°, indicating that cluster configuration is highly related to the cage shape and cage structure as well. The DFT computation demonstrates that the cluster-to-cage electron-transfer obviously enhances the aromaticity of the motif containing the fused-pentagon pair and hence stabilizes the non-IPR cage of C 2 (13333)-C 74 . In addition, the electrochemical and magnetic properties of Ho 2 O@C 2 (13333)-C 74 are studied to further investigate the effect of endohedral Ho 2 O cluster.",

author = "Along Liu and Mingzhe Nie and Yajuan Hao and Ying Yang and Taishan Wang and Zdenek Slanina and Hailin Cong and Lai Feng and Chunru Wang and Filip Uhlik",

note = "Publisher Copyright: Copyright {\textcopyright} 2019 American Chemical Society.",

year = "2019",

month = apr,

day = "15",

doi = "10.1021/acs.inorgchem.8b03145",

language = "English",

volume = "58",

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Liu, A, Nie, M, Hao, Y, Yang, Y, Wang, T, Slanina, Z, Cong, H, Feng, L, Wang, C & Uhlik, F 2019, 'Ho ₂ O@C ₇₄: Ho ₂ O Cluster Expands within a Small Non-IPR Fullerene Cage of C ₂ (13333)-C ₇₄', Inorganic Chemistry, vol. 58, no. 8, pp. 4774-4781. https://doi.org/10.1021/acs.inorgchem.8b03145

Ho ₂ O@C ₇₄: Ho ₂ O Cluster Expands within a Small Non-IPR Fullerene Cage of C ₂ (13333)-C ₇₄. / Liu, Along; Nie, Mingzhe; Hao, Yajuan et al.
In: Inorganic Chemistry, Vol. 58, No. 8, 15.04.2019, p. 4774-4781.

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

TY - JOUR

T1 - Ho 2 O@C 74

T2 - Ho 2 O Cluster Expands within a Small Non-IPR Fullerene Cage of C 2 (13333)-C 74

AU - Liu, Along

AU - Nie, Mingzhe

AU - Hao, Yajuan

AU - Yang, Ying

AU - Wang, Taishan

AU - Slanina, Zdenek

AU - Cong, Hailin

AU - Feng, Lai

AU - Wang, Chunru

AU - Uhlik, Filip

PY - 2019/4/15

Y1 - 2019/4/15

N2 - Steering the cluster configuration inside a fullerene cage has been one of most interesting topics in the field of fullerenes, since the physical property of a cluster fullerene may be modified accordingly. It has been well-recognized that the cluster configuration can be tuned via altering the cage size. Typically, the carbide cluster and the oxide cluster are experimentally seen to be curled up within a small fullerene cage whereas they are expanded in a large cage. In this work, a new oxide cluster fullerene Ho 2 O@C 2 (13333)-C 74 is prepared and isolated. The single-crystal X-ray diffraction (XRD) study reveals that the Ho 2 O cluster, however, expands within the small non-IPR cage of C 2 (13333)-C 74 with a Ho-O-Ho angle of >170°, indicating that cluster configuration is highly related to the cage shape and cage structure as well. The DFT computation demonstrates that the cluster-to-cage electron-transfer obviously enhances the aromaticity of the motif containing the fused-pentagon pair and hence stabilizes the non-IPR cage of C 2 (13333)-C 74 . In addition, the electrochemical and magnetic properties of Ho 2 O@C 2 (13333)-C 74 are studied to further investigate the effect of endohedral Ho 2 O cluster.

AB - Steering the cluster configuration inside a fullerene cage has been one of most interesting topics in the field of fullerenes, since the physical property of a cluster fullerene may be modified accordingly. It has been well-recognized that the cluster configuration can be tuned via altering the cage size. Typically, the carbide cluster and the oxide cluster are experimentally seen to be curled up within a small fullerene cage whereas they are expanded in a large cage. In this work, a new oxide cluster fullerene Ho 2 O@C 2 (13333)-C 74 is prepared and isolated. The single-crystal X-ray diffraction (XRD) study reveals that the Ho 2 O cluster, however, expands within the small non-IPR cage of C 2 (13333)-C 74 with a Ho-O-Ho angle of >170°, indicating that cluster configuration is highly related to the cage shape and cage structure as well. The DFT computation demonstrates that the cluster-to-cage electron-transfer obviously enhances the aromaticity of the motif containing the fused-pentagon pair and hence stabilizes the non-IPR cage of C 2 (13333)-C 74 . In addition, the electrochemical and magnetic properties of Ho 2 O@C 2 (13333)-C 74 are studied to further investigate the effect of endohedral Ho 2 O cluster.

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U2 - 10.1021/acs.inorgchem.8b03145

DO - 10.1021/acs.inorgchem.8b03145

M3 - Article

C2 - 30938991

AN - SCOPUS:85064408844

SN - 0020-1669

VL - 58

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JO - Inorganic Chemistry

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Liu A, Nie M, Hao Y, Yang Y, Wang T, Slanina Z et al. Ho ₂ O@C ₇₄: Ho ₂ O Cluster Expands within a Small Non-IPR Fullerene Cage of C ₂ (13333)-C ₇₄. Inorganic Chemistry. 2019 Apr 15;58(8):4774-4781. doi: 10.1021/acs.inorgchem.8b03145

Ho ₂ O@C ₇₄: Ho ₂ O Cluster Expands within a Small Non-IPR Fullerene Cage of C ₂ (13333)-C ₇₄

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