ELECTROCHEMISTRY AND AB-INITIO STUDY OF THE DIMETALLOFULLERENE LA-2-AT-C-80

被引：126

作者：

SUZUKI, T

MARUYAMA, Y

KATO, T

KIKUCHI, K

NAKAO, Y

ACHIBA, Y

KOBAYASHI, K

NAGASE, S

机构：

[1] YOKOHAMA NATL UNIV,FAC EDUC,DEPT CHEM,YOKOHAMA,KANAGAWA 240,JAPAN

[2] INST MOLEC SCI,OKAZAKI,AICHI 444,JAPAN

[3] TOKYO METROPOLITAN UNIV,TOKYO 158,JAPAN

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH | 1995年 / 34卷 / 10期

关键词：

AB INITIO CALCULATIONS; ELECTROCHEMISTRY; LANTHANIDE COMPOUNDS;

D O I：

10.1002/anie.199510941

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

La2@C80 is a stronger electron acceptor than La@C82 and has a remarkably narrow HOMOLUMO gap in comparision to empty fullerenes. This result was derived from the redox potentials of La2@C80 determined by electrochemistry. Ab initio calculations on La2@C80 with an Ih‐symmetric C80 cage (see picture on the right) suggest that the partially filled HOMOs are occupied by six electrons from La2. The LaLa distance is 3.45 Å. (Figure Presented.) Copyright © 1995 by VCH Verlagsgesellschaft mbH, Germany

引用

页码：1094 / 1096

页数：3

共 27 条

[1]

Bethune D.S., Johnson R.D., Salem J.R., de Vries M.S., Yannoni C.S., Nature, 366, (1993)

[2]

Kikuchi K., Suzuki S., Nakao Y., Nakahara N., Wakabayashi T., Shiromaru H., Saito K., Ikemoto I., Achiba Y., Chem. Phys. Lett., 216, (1993)

[3]

Yamamoto K., Funasaka H., Takahashi T., Akasaka T., J. Phys. Chem., 98, (1994)

[4]

Shinohara H., Yamaguchi H., Hayashi Y., Sato H., Ohkochi M., Ando Y., Saito Y., J. Phys. Chem., 97, (1993)

[5]

Shinohara H., Hayashi N., Sato H., Saito Y., Wang X.-D., Hashizume T., Sakurai T., J. Phys. Chem., 97, (1993)

[6]

Beyers R., Kiang C.-H., Johnson R.D., Salem J.R., de Vries M.S., Yannoni C.S., Bethune D.S., Dorn H.C., Burbank P., Harich K., Stevenson S., Nature, 370, (1994)

[7]

Suzuki T., Maruyama Y., Kato T., Kikuchi K., Achiba Y., J. Am. Chem. Soc., 115, (1993)

[8]

Kikuchi K., Nakao Y., Suzuki S., Achiba Y., Suzuki T., Maruyama Y., J. Am. Chem. Soc., 116, (1994)

[9]

Yamamoto K., Funasaka H., Takahashi T., Akasaka T., Suzuki T., Maruyama Y., J. Phys. Chem., 98, (1994)

[10]

Hino S., Takahashi H., Iwasaki K., Matsumoto K., Miyazaki T., Hasegawa S., Kikuchi K., Achiba Y., Phys. Rev. Lett., 71, (1993)

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