期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 14, 期 43, 页码 14764-14768出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c2cp40839b
关键词
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资金
- Conacyt [57892]
- REA-FP7-IRSES TEMM1P [GA 295172]
- The Jeffress Memorial Trust [J-903]
- NSF-CAREER award [CHE-1056430]
- Faculty of Arts and Sciences of the University of Richmond
- Division Of Chemistry
- Direct For Mathematical & Physical Scien [0958696, 1229354, 1056430] Funding Source: National Science Foundation
A series of clusters with the general formula CBe5E- (E = Al, Ga, In, Tl) are theoretically shown to have a planar pentacoordinate carbon atom. The structures show a simple and rigid topological framework-a planar EBe4 ring surrounding a C center, with one of the ring Be-Be bonds capped in-plane by a fifth Be atom. The system is stabilized by a network of multicenter sigma bonds in which the central C atom is the acceptor, and pi systems as well by which the C atom donates charge to the Be and E atoms that encircle it.
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