TORELENES (T)-C(N) AS A NEW CLASS OF CARBON CLUSTERS - ELECTRONIC-STRUCTURE OF (T)-C200, (T)-C210, (T)-C276, AND (T)-C408

被引:15
作者
GALPERN, EG [1 ]
STANKEVICH, IV [1 ]
CHISTYAKOV, AL [1 ]
CHERNOZATONSKII, LA [1 ]
机构
[1] RUSSIAN ACAD SCI,INST RADIOENGN & ELECTR,MOSCOW 103907,RUSSIA
来源
FULLERENE SCIENCE AND TECHNOLOGY | 1994年 / 2卷 / 01期
关键词
D O I
10.1080/15363839408011912
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
Structures of four giant torus-like carbon clusters are proposed: (t)-C200 (I), (t)-C210 (II), (t)-C408 (III) and (t)-C276 (IY). Their electronic structures are calculated by a topological approach. It is discovered that electronic shell of cluster (II) containing (4n+2) pi-electrons with n = 52 is closed. Its spectrum gap is equal to 0.4. (In units of resonance integral beta module.) Clusters (I), (III) and (IY) belong to conjugated systems containing 4n pi-electrons. The first one has an open electronic shell and is inclined to dianion formation. Clusters (III) and (IY) possess pseudo-closed electronic shells, their spectrum gaps are equal to 0.14 and 0.08, respectively .
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页码:1 / 11
页数:11
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