Torelenes (t)-Cnas a New Class of Carbon Clusters. Electronic Structure of (t)-C200, (t)-C210, (t)-C276, and (t)-C408
- 1 February 1994
- journal article
- research article
- Published by Taylor & Francis in Fullerene Science and Technology
- Vol. 2 (1) , 1-11
- https://doi.org/10.1080/15363839408011912
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 electronic structures are calculated by a topological approach. It is discovered that electronic shell of cluster (II) containing (4n+2) π-electrons with n = 52 is closed. Its spectrum gap is equal to 0.4. (In units of resonance integral β module.) Clusters (I), (III) and (IY) belong to conjugated systems containing 4n π-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.Keywords
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