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- W85373365 abstract "The structures and bonding of CB6−, C2B5−, and CB62− are investigated by photoelectron spectroscopy and ab initio calculations. It is shown that the global minimum structures for these systems are distorted heptacyclic structures. The previously reported hexacyclic structures with a hypercoordinate central carbon atom are found to be significantly higher in energy and were not populated under current experimental conditions. The reasons why carbon avoids hypercoordination in these planar carbon−boron clusters are explained through detailed chemical-bonding analyses." @default.
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- W85373365 date "2008-06-27" @default.
- W85373365 modified "2023-10-12" @default.
- W85373365 title "Carbon Avoids Hypercoordination in CB<sub>6</sub><sup>−</sup>, CB<sub>6</sub><sup>2−</sup>, and C<sub>2</sub>B<sub>5</sub><sup>−</sup>Planar Carbon−Boron Clusters" @default.
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- W85373365 doi "https://doi.org/10.1021/ja801211p" @default.
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