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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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Publication details

The article was received on 31 maí 2012, accepted on 25 jún. 2012 and first published on 17 júl. 2012


Article type: Communication
DOI: 10.1039/C2CP41822C
Phys. Chem. Chem. Phys., 2012,14, 14760-14763

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    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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