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Issue 43, 2012
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D3h CN3Be3+ and CO3Li3+: viable planar hexacoordinate carbon prototypes

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Abstract

Searches for planar hexacoordinate carbon (phC) species comprised of only seven atoms uncovered good CX3M3 prototypes, D3h CN3Be3+ and CO3Li3+. The latter is the global minimum. It might also be possible to detect the deep-lying kinetically-viable D3h CN3Be3+ local minimum, based on its robustness toward molecular dynamic simulations and its very high isomerization barrier.

Graphical abstract: D 3h CN3Be3+ and CO3Li3+: viable planar hexacoordinate carbon prototypes

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Article information


Submitted
31 maí 2012
Accepted
25 jún. 2012
First published
17 júl. 2012

Phys. Chem. Chem. Phys., 2012,14, 14760-14763
Article type
Communication

D 3h CN3Be3+ and CO3Li3+: viable planar hexacoordinate carbon prototypes

Y. Wu, Y. Duan, G. Lu, H. Lu, P. Yang, P. V. R. Schleyer, G. Merino, R. Islas and Z. Wang, Phys. Chem. Chem. Phys., 2012, 14, 14760
DOI: 10.1039/C2CP41822C

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