STRUCTURAL PROPOSALS FOR ENDOHEDRAL METAL FULLERENE COMPLEXES

被引：74

作者：

MANOLOPOULOS, DE ^{[1
]}

FOWLER, PW ^{[1
]}

机构：

[1] UNIV EXETER,DEPT CHEM,EXETER EX4 4RJ,DEVON,ENGLAND

来源：

CHEMICAL PHYSICS LETTERS | 1991年 / 187卷 / 1-2期

关键词：

D O I：

10.1016/0009-2614(91)90475-O

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A systematic search of isolated-pentagon fullerene cages reveals at least one closed-shell C(n)2- anion for all even n in the range 70 to 90 except n = 72. It is argued that the more stable of these anions provide likely candidates for the structures of higher endohedral metal-fullerene complexes of the type MC(n), M = Ba, La, etc., in which the central metal atom donates two valence electrons from a high-lying large-radius s orbital to the delocalised pi-system of the fullerene cage. The recently observed LaC82 complex is predicted to be polar, with a C3v symmetry fullerene cage.

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页码：1 / 7

页数：7

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共 20 条

[1]

CHAI Y, UNPUB J PHYS CHEM

[2] THE GROUND AND EXCITED-STATES OF C60M AND C60M+ (M=O, F, K, CA, MN, CS, BA, LA, EU, U) [J].

CHANG, AHH ;

ERMLER, WC ;

PITZER, RM .

JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (07) :5004-5010

[3] THE HIGHER FULLERENES - ISOLATION AND CHARACTERIZATION OF C76, C84, C90, C94, AND C70O, AN OXIDE OF D5H-C70 [J].

DIEDERICH, F ;

ETTL, R ;

RUBIN, Y ;

WHETTEN, RL ;

BECK, R ;

ALVAREZ, M ;

ANZ, S ;

SENSHARMA, D ;

WUDL, F ;

KHEMANI, KC ;

KOCH, A .

SCIENCE, 1991, 252 (5005) :548-551

[4] SPECTROELECTROCHEMICAL STUDY OF THE C60 AND C70 FULLERENES AND THEIR MONOANIONS, DIANIONS, TRIANIONS, AND TETRAANIONS [J].

DUBOIS, D ;

KADISH, KM ;

FLANAGAN, S ;

HAUFLER, RE ;

CHIBANTE, LPF ;

WILSON, LJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1991, 113 (11) :4364-4366

[5] ISOLATION OF C76, A CHIRAL (D2) ALLOTROPE OF CARBON [J].

ETTL, R ;

CHAO, I ;

DIEDERICH, F ;

WHETTEN, RL .

NATURE, 1991, 353 (6340) :149-153

[6] 3 CANDIDATES FOR THE STRUCTURE OF C-84 [J].

FOWLER, PW .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1991, 87 (12) :1945-1946

[7] THE LEAPFROG PRINCIPLE - A RULE FOR ELECTRON COUNTS OF CARBON CLUSTERS [J].

FOWLER, PW ;

STEER, JI .

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1987, (18) :1403-1405

[8] SYSTEMATICS OF BONDING IN NON-ICOSAHEDRAL CARBON CLUSTERS [J].

FOWLER, PW ;

CREMONA, JE ;

STEER, JI .

THEORETICA CHIMICA ACTA, 1988, 73 (01) :1-26

[9] CARBON CYLINDERS - A CLASS OF CLOSED-SHELL CLUSTERS [J].

FOWLER, PW .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1990, 86 (12) :2073-2077

[10] THE HIGHER FULLERENES - A CANDIDATE FOR THE STRUCTURE OF C78 [J].

FOWLER, PW ;

BATTEN, RC ;

MANOLOPOULOS, DE .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1991, 87 (18) :3103-3104