Isolation, characterization, and theoretical study of La2@C78

被引：76

作者：

Cao, BP

Wakahara, T

Tsuchiya, T

Kondo, M

Maeda, Y

Rahman, GMA

Akasaka, T ^{[1
]}

Kobayashi, K

Nagase, S

Yamamoto, K

机构：

[1] Univ Tsukuba, Ctr Tsukuba Adv Res Alliance, Tsukuba, Ibaraki 3058577, Japan

[2] Japan Grad Sch Sci & Technol, Niigata 9502181, Japan

[3] Inst Mol Sci, Okazaki, Aichi 4448585, Japan

[4] Japan Nucl Fuel Cycle Dev Inst, Tokai, Ibaraki 3191100, Japan

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2004年 / 126卷 / 30期

关键词：

D O I：

10.1021/ja048599g

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A new metallofullerene, La2@C78, has been synthesized by DC arc discharge method, isolated by high-performance liquid chromatography, and characterized by laser desorption time-of-flight mass spectrometry, UV-vis-NIR absorption, differential pulse voltammetry, 13C NMR spectroscopy, and theoretical calculations. The La2@C78/CS2 solution is dark violet and presents several characteristic absorption features at 647, 561, 533, and 386 nm, with an onset around 1000 nm. With respect to empty D3-C78, the capability of La2@C78 as an electron acceptor or donor is stronger. Addition of 1,1,2,2-tetrakis(2,4,6-trimethylphenyl)-1,2-disirane to La2@C78 photochemically, as well as thermally, affords bis- and mono-adducts. Theoretical studies and 13C NMR spectroscopic analysis of La2@C78 indicate that it possesses a D3h-C78 cage (78:5). Copyright © 2004 American Chemical Society.

引用

页码：9164 / 9165

页数：2

共 24 条

[1] Structural determination of the La@C82 isomer [J].

Akasaka, T ;

Wakahara, T ;

Nagase, S ;

Kobayashi, K ;

Waelchli, M ;

Yamamoto, K ;

Kondo, M ;

Shirakura, S ;

Maeda, Y ;

Kato, T ;

Kako, M ;

Nakadaira, Y ;

Gao, X ;

Van Caemelbecke, E ;

Kadish, KM .

JOURNAL OF PHYSICAL CHEMISTRY B, 2001, 105 (15) :2971-2974

[2] La@C82 anion.: An unusually stable metallofullerene [J].

Akasaka, T ;

Wakahara, T ;

Nagase, S ;

Kobayashi, K ;

Waelchli, M ;

Yamamoto, K ;

Kondo, M ;

Shirakura, S ;

Okubo, S ;

Maeda, Y ;

Kato, T ;

Kako, M ;

Nakadaira, Y ;

Nagahata, R ;

Gao, X ;

Van Caemelbecke, E ;

Kadish, KM .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2000, 122 (38) :9316-9317

[3] C-13 and La-139 NMR studies of La-2@C-80: First evidence for circular motion of metal atoms in endohedral dimetallofullerenes [J].

Akasaka, T ;

Nagase, S ;

Kobayashi, K ;

Walchli, M ;

Yamamoto, K ;

Funasaka, H ;

Kako, M ;

Hoshino, T ;

Erata, T .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1997, 36 (15) :1643-1645

[4]

Akasaka T., 2002, Endofullerenes: A New Family of Carbon Clusters

[5] DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].

BECKE, AD .

JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) :5648-5652

[6] DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR [J].

BECKE, AD .

PHYSICAL REVIEW A, 1988, 38 (06) :3098-3100

[7] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].

BINKLEY, JS ;

POPLE, JA ;

HEHRE, WJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947

[8] Bonding within the endohedral fullerenes Sc3N@C78 and Sc3N@C80 as determined by density functional calculations and reexamination of the crystal structure of {Sc3N@C78}•Co(OEP)•1.5(C6H6)•0.3(CHCl3) [J].

Campanera, JM ;

Bo, C ;

Olmstead, MM ;

Balch, AL ;

Poblet, JM .

JOURNAL OF PHYSICAL CHEMISTRY A, 2002, 106 (51) :12356-12364

[9] EELS and 13C NMR characterization of pure Ti2@C80 metallofullerene [J].

Cao, BP ;

Hasegawa, M ;

Okada, K ;

Tomiyama, T ;

Okazaki, T ;

Suenaga, K ;

Shinohara, H .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2001, 123 (39) :9679-9680

[10] FULLERENE ISOMERISM - ISOLATION OF C2-NU-C78 AND D3-C78 [J].

DIEDERICH, F ;

WHETTEN, RL ;

THILGEN, C ;

ETTL, R ;

CHAO, I ;

ALVAREZ, MM .

SCIENCE, 1991, 254 (5039) :1768-1770

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