Anisotropic Paramagnetic Properties of Metallofullerene Confined in a Metal-Organic Framework

Chong Zhao; Haibing Meng; Mingzhe Nie; Li Jiang; Chunru Wang; Taishan Wang

doi:10.1021/acs.jpcc.7b11353

Anisotropic Paramagnetic Properties of Metallofullerene Confined in a Metal-Organic Framework

Chong Zhao, Haibing Meng, Mingzhe Nie, Li Jiang, Chunru Wang^*, Taishan Wang

^*Corresponding author for this work

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

12 Citations (Scopus)

Abstract

Paramagnetic metallofullerenes have a spherical molecular structure and stable unpaired spin protected by a fullerene cage and have potential applications in quantum information processing, etc. For endohedral azafullerene Y₂@C₇₉N, the N atom on the cage endows the molecule with unpaired spin and is proposed to induce the molecule orientation within the MOF pore via host-guest interaction. Angular-dependent EPR spectroscopy was employed on the Y₂@C₇₉N∪MOF-177 complex to detect the anisotropic paramagnetic properties. These results experimentally confirmed the trend of molecule orientation of Y₂@C₇₉N within MOF-177 under certain conditions, which also induces the presence of several conformers of Y₂@C₇₉N. The additional EPR splittings in Y₂@C₇₉N∪MOF-177 are proposed to originate from partially disordered molecules as well as the N-coupling of Y₂@C₇₉N upon implanting it into the MOF-177 pore. The N-defect on the fullerene cage of Y₂@C₇₉N is expected to be utilized as an anchor to build a three-dimensional spin array within MOF matrix.

Original language	English
Pages (from-to)	4635-4640
Number of pages	6
Journal	Journal of Physical Chemistry C
Volume	122
Issue number	8
DOIs	https://doi.org/10.1021/acs.jpcc.7b11353
Publication status	Published - 1 Mar 2018
Externally published	Yes

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title = "Anisotropic Paramagnetic Properties of Metallofullerene Confined in a Metal-Organic Framework",

abstract = "Paramagnetic metallofullerenes have a spherical molecular structure and stable unpaired spin protected by a fullerene cage and have potential applications in quantum information processing, etc. For endohedral azafullerene Y2@C79N, the N atom on the cage endows the molecule with unpaired spin and is proposed to induce the molecule orientation within the MOF pore via host-guest interaction. Angular-dependent EPR spectroscopy was employed on the Y2@C79N∪MOF-177 complex to detect the anisotropic paramagnetic properties. These results experimentally confirmed the trend of molecule orientation of Y2@C79N within MOF-177 under certain conditions, which also induces the presence of several conformers of Y2@C79N. The additional EPR splittings in Y2@C79N∪MOF-177 are proposed to originate from partially disordered molecules as well as the N-coupling of Y2@C79N upon implanting it into the MOF-177 pore. The N-defect on the fullerene cage of Y2@C79N is expected to be utilized as an anchor to build a three-dimensional spin array within MOF matrix.",

author = "Chong Zhao and Haibing Meng and Mingzhe Nie and Li Jiang and Chunru Wang and Taishan Wang",

note = "Publisher Copyright: {\textcopyright} 2018 American Chemical Society.",

year = "2018",

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doi = "10.1021/acs.jpcc.7b11353",

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T1 - Anisotropic Paramagnetic Properties of Metallofullerene Confined in a Metal-Organic Framework

AU - Zhao, Chong

AU - Meng, Haibing

AU - Nie, Mingzhe

AU - Jiang, Li

AU - Wang, Chunru

AU - Wang, Taishan

PY - 2018/3/1

Y1 - 2018/3/1

N2 - Paramagnetic metallofullerenes have a spherical molecular structure and stable unpaired spin protected by a fullerene cage and have potential applications in quantum information processing, etc. For endohedral azafullerene Y2@C79N, the N atom on the cage endows the molecule with unpaired spin and is proposed to induce the molecule orientation within the MOF pore via host-guest interaction. Angular-dependent EPR spectroscopy was employed on the Y2@C79N∪MOF-177 complex to detect the anisotropic paramagnetic properties. These results experimentally confirmed the trend of molecule orientation of Y2@C79N within MOF-177 under certain conditions, which also induces the presence of several conformers of Y2@C79N. The additional EPR splittings in Y2@C79N∪MOF-177 are proposed to originate from partially disordered molecules as well as the N-coupling of Y2@C79N upon implanting it into the MOF-177 pore. The N-defect on the fullerene cage of Y2@C79N is expected to be utilized as an anchor to build a three-dimensional spin array within MOF matrix.

AB - Paramagnetic metallofullerenes have a spherical molecular structure and stable unpaired spin protected by a fullerene cage and have potential applications in quantum information processing, etc. For endohedral azafullerene Y2@C79N, the N atom on the cage endows the molecule with unpaired spin and is proposed to induce the molecule orientation within the MOF pore via host-guest interaction. Angular-dependent EPR spectroscopy was employed on the Y2@C79N∪MOF-177 complex to detect the anisotropic paramagnetic properties. These results experimentally confirmed the trend of molecule orientation of Y2@C79N within MOF-177 under certain conditions, which also induces the presence of several conformers of Y2@C79N. The additional EPR splittings in Y2@C79N∪MOF-177 are proposed to originate from partially disordered molecules as well as the N-coupling of Y2@C79N upon implanting it into the MOF-177 pore. The N-defect on the fullerene cage of Y2@C79N is expected to be utilized as an anchor to build a three-dimensional spin array within MOF matrix.

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JO - Journal of Physical Chemistry C

JF - Journal of Physical Chemistry C

IS - 8

ER -

Anisotropic Paramagnetic Properties of Metallofullerene Confined in a Metal-Organic Framework

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