Ultraviolet photoelectron spectra of mono-metal endohedral fullerene Er@C82 (I)

Takafumi Miyazaki; Ryohei Sumii; Hisashi Umemoto; Haruya Okimoto; Yasuhiro Ito; Toshiki Sugai; Hisanori Shinohara; Shojun Hino

doi:10.1016/j.chemphys.2010.09.003

Ultraviolet photoelectron spectra of mono-metal endohedral fullerene Er@C₈₂ (I)

Takafumi Miyazaki, Ryohei Sumii, Hisashi Umemoto, Haruya Okimoto, Yasuhiro Ito, Toshiki Sugai, Hisanori Shinohara, Shojun Hino

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

10 Citations (Scopus)

Abstract

Ultraviolet photoelectron spectra (UPS) of Erbium endohedral fullerene Er@C₈₂ (I) were measured using a synchrotron radiation light source. The spectral onset of Er@C₈₂ (I) was 0.4 eV, which is smaller than those of divalent atom endohedral metallofullerenes and analogous to those of trivalent atom endohedral metallofullerenes. The upper valence structure (E _b < 5 eV) of Er@C₈₂ (I) was almost identical with those of C_2v-Tb@C₈₂ and C_2v-La@C₈₂. The oxidation states of Er in Er@C₈₂ from the analogy of the oxidation state of Tb in Tb@C₈₂ and La in La@C₈₂ is estimated to be +3. The UPS of Er@C₈₂ (I) differs from those of Tm@C₈₂ isomers. The reason of the difference is attributed to differences in their cage structures and oxidation states. The upper valence UPS of Er@C₈₂ (I) could be well reproduced by a simulated spectrum obtained with a Gaussian03 program module assuming C₈₂-C_2v cage structure with three additional electrons.

Original language	English
Pages (from-to)	11-13
Number of pages	3
Journal	Chemical Physics
Volume	378
Issue number	1-3
DOIs	https://doi.org/10.1016/j.chemphys.2010.09.003
Publication status	Published - Dec 9 2010
Externally published	Yes

Keywords

Endohedral metallofullerens
Er@C
Ultraviolet photoelectron spectroscopy
Valence band structure

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

Access to Document

10.1016/j.chemphys.2010.09.003

Cite this

@article{6e013287f96d480ba370779fcc4546a2,

title = "Ultraviolet photoelectron spectra of mono-metal endohedral fullerene Er@C82 (I)",

abstract = "Ultraviolet photoelectron spectra (UPS) of Erbium endohedral fullerene Er@C82 (I) were measured using a synchrotron radiation light source. The spectral onset of Er@C82 (I) was 0.4 eV, which is smaller than those of divalent atom endohedral metallofullerenes and analogous to those of trivalent atom endohedral metallofullerenes. The upper valence structure (E b < 5 eV) of Er@C82 (I) was almost identical with those of C2v-Tb@C82 and C2v-La@C82. The oxidation states of Er in Er@C82 from the analogy of the oxidation state of Tb in Tb@C82 and La in La@C82 is estimated to be +3. The UPS of Er@C82 (I) differs from those of Tm@C82 isomers. The reason of the difference is attributed to differences in their cage structures and oxidation states. The upper valence UPS of Er@C82 (I) could be well reproduced by a simulated spectrum obtained with a Gaussian03 program module assuming C82-C2v cage structure with three additional electrons.",

keywords = "Endohedral metallofullerens, Er@C, Ultraviolet photoelectron spectroscopy, Valence band structure",

author = "Takafumi Miyazaki and Ryohei Sumii and Hisashi Umemoto and Haruya Okimoto and Yasuhiro Ito and Toshiki Sugai and Hisanori Shinohara and Shojun Hino",

note = "Funding Information: This study was conducted as part of a joint research program of UVSOR, Institute for Molecular Science. This work was supported by a Grant-in Aid for Scientific Research in the priority area molecular conductors (Grant No. 15073203 ) and a Grant-in Aid for Basic Scientific Research (Grant No. 18350068 ) from the Ministry of Education, Science, Sports, and Culture, Japan. This work is also supported by a Subsidy to Create Center of Excellence from Ehime University.",

year = "2010",

month = dec,

day = "9",

doi = "10.1016/j.chemphys.2010.09.003",

language = "English",

volume = "378",

pages = "11--13",

journal = "Chemical Physics",

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T1 - Ultraviolet photoelectron spectra of mono-metal endohedral fullerene Er@C82 (I)

AU - Miyazaki, Takafumi

AU - Sumii, Ryohei

AU - Umemoto, Hisashi

AU - Okimoto, Haruya

AU - Ito, Yasuhiro

AU - Sugai, Toshiki

AU - Shinohara, Hisanori

AU - Hino, Shojun

N1 - Funding Information: This study was conducted as part of a joint research program of UVSOR, Institute for Molecular Science. This work was supported by a Grant-in Aid for Scientific Research in the priority area molecular conductors (Grant No. 15073203 ) and a Grant-in Aid for Basic Scientific Research (Grant No. 18350068 ) from the Ministry of Education, Science, Sports, and Culture, Japan. This work is also supported by a Subsidy to Create Center of Excellence from Ehime University.

PY - 2010/12/9

Y1 - 2010/12/9

N2 - Ultraviolet photoelectron spectra (UPS) of Erbium endohedral fullerene Er@C82 (I) were measured using a synchrotron radiation light source. The spectral onset of Er@C82 (I) was 0.4 eV, which is smaller than those of divalent atom endohedral metallofullerenes and analogous to those of trivalent atom endohedral metallofullerenes. The upper valence structure (E b < 5 eV) of Er@C82 (I) was almost identical with those of C2v-Tb@C82 and C2v-La@C82. The oxidation states of Er in Er@C82 from the analogy of the oxidation state of Tb in Tb@C82 and La in La@C82 is estimated to be +3. The UPS of Er@C82 (I) differs from those of Tm@C82 isomers. The reason of the difference is attributed to differences in their cage structures and oxidation states. The upper valence UPS of Er@C82 (I) could be well reproduced by a simulated spectrum obtained with a Gaussian03 program module assuming C82-C2v cage structure with three additional electrons.

AB - Ultraviolet photoelectron spectra (UPS) of Erbium endohedral fullerene Er@C82 (I) were measured using a synchrotron radiation light source. The spectral onset of Er@C82 (I) was 0.4 eV, which is smaller than those of divalent atom endohedral metallofullerenes and analogous to those of trivalent atom endohedral metallofullerenes. The upper valence structure (E b < 5 eV) of Er@C82 (I) was almost identical with those of C2v-Tb@C82 and C2v-La@C82. The oxidation states of Er in Er@C82 from the analogy of the oxidation state of Tb in Tb@C82 and La in La@C82 is estimated to be +3. The UPS of Er@C82 (I) differs from those of Tm@C82 isomers. The reason of the difference is attributed to differences in their cage structures and oxidation states. The upper valence UPS of Er@C82 (I) could be well reproduced by a simulated spectrum obtained with a Gaussian03 program module assuming C82-C2v cage structure with three additional electrons.

KW - Endohedral metallofullerens

KW - Er@C

KW - Ultraviolet photoelectron spectroscopy

KW - Valence band structure

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