The DOI matches its Crossref record; 15 of the 15 references it cites were found in a registry or an index.
Planar Hexacoordinate Carbon: A Viable Possibility
Abstract
The viability of molecules with planar hexacoordinate carbon atoms is demonstrated by density-functional theory (DFT) calculations for CB 6 2– , a CB 6 H 2 isomer, and three C 3 B 4 minima. All of these species have six π electrons and are aromatic. Although other C 3 B 4 isomers are lower in energy, the activation barriers for the rearrangements of the three planar carbon C 3 B 4 minima into more stable isomers are appreciable, and experimental observation should be possible. High-level ab initio calculations confirm the DFT results. The planar hexacoordination in these species does not violate the octet rule because six partial bonds to the central carbons are involved.
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Cites
Nucleus-Independent Chemical Shifts: A Simple and Efficient Aromaticity Probe
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Stabilization of planar tetracoordinate carbon
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Self-citationLi, X., Wang, L.-S., Boldyrev, A. I., & Simons, J. (1999) · Journal of the American Chemical Society · doi:10.1021/ja9906204 · Cited by 355
Experimental Observation of Pentaatomic Tetracoordinate Planar Carbon-Containing Molecules
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Cited by
Wang, Y., Li, F., Li, Y., & Chen, Z. (2016) · Nature Communications · doi:10.1038/ncomms11488 · Cited by 328
Double Aromaticity in Monocyclic Carbon, Boron, and Borocarbon Rings Based on Magnetic Criteria
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Self-citationOctacoordinated main-group element centres in a planar cyclic B8 environment: an ab initio study
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Planar hexacoordinated boron in organoboron compounds: an ab initio study
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Structural and Bonding Trends among the B 7 C 1 1- ,B 6 C 2 , and B 5 C 3 1+
(2005) · Bulletin of the Korean Chemical Society · doi:10.5012/bkcs.2005.26.1.063 · Cited by 15
Metadata
- Authors
- Exner, K., & Schleyer, P. V. R.
- Venue
- Science
- Published
- 2000-12-08
- Volume
- 290
- Issue
- 5498
- Pages
- 1937-1940
- ISSN
- 0036-8075 (ISSN-L)
- 1095-9203
- OpenAlex
- W2061851542
- Cited by
- 326
- References
- 15
- FWCI
- 2.55
- Type
- journal article
- Language
- en
- Open access
- closed
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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