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

Citation
Eg. Galpern et al., TORELENES (T)-C(N) AS A NEW CLASS OF CARBON CLUSTERS - ELECTRONIC-STRUCTURE OF (T)-C200, (T)-C210, (T)-C276, AND (T)-C408, Fullerene science and technology, 2(1), 1994, pp. 1-11
Citations number
14
Categorie Soggetti
Chemistry Physical","Physics, Atomic, Molecular & Chemical","Material Science
ISSN journal
1064122X
Volume
2
Issue
1
Year of publication
1994
Pages
1 - 11
Database
ISI
SICI code
1064-122X(1994)2:1<1:T(AANC>2.0.ZU;2-L
Abstract
Structures of four giant torus-like carbon clusters are proposed: (t)- C200 (I), (t)-C210 (II), (t)-C408 (III) and (t)-C276 (IY). Their elect ronic structures are calculated by a topological approach. It is disco vered that electronic shell of cluster (II) containing (4n+2) pi-elect rons with n = 52 is closed. Its spectrum gap is equal to 0.4. (In unit s of resonance integral beta module.) Clusters (I), (III) and (IY) bel ong to conjugated systems containing 4n pi-electrons. The first one ha s an open electronic shell and is inclined to dianion formation. Clust ers (III) and (IY) possess pseudo-closed electronic shells, their spec trum gaps are equal to 0.14 and 0.08, respectively .