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.
| Original language | English |
|---|---|
| Pages (from-to) | 11-13 |
| Number of pages | 3 |
| Journal | Chemical Physics |
| Volume | 378 |
| Issue number | 1-3 |
| DOIs | |
| Publication status | Published - Dec 9 2010 |
| Externally published | Yes |
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Keywords
- Endohedral metallofullerens
- Er@C
- Ultraviolet photoelectron spectroscopy
- Valence band structure
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Physics and Astronomy(all)
Cite this
Ultraviolet photoelectron spectra of mono-metal endohedral fullerene Er@C82 (I). / Miyazaki, Takafumi; Sumii, Ryohei; Umemoto, Hisashi; Okimoto, Haruya; Ito, Yasuhiro; Sugai, Toshiki; Shinohara, Hisanori; Hino, Shojun.
In: Chemical Physics, Vol. 378, No. 1-3, 09.12.2010, p. 11-13.Research output: Contribution to journal › Article
}
TY - JOUR
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
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
UR - http://www.scopus.com/inward/record.url?scp=78649870227&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=78649870227&partnerID=8YFLogxK
U2 - 10.1016/j.chemphys.2010.09.003
DO - 10.1016/j.chemphys.2010.09.003
M3 - Article
VL - 378
SP - 11
EP - 13
JO - Chemical Physics
JF - Chemical Physics
SN - 0301-0104
IS - 1-3
ER -