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Issue 19, 2011
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Molecular wheel to monocyclic ring transition in boron–carbon mixed clusters C2B6 and C3B5

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Abstract

In this joint experimental and theoretical work we present a novel type of structural transition occurring in the series of CxB8−x (x = 1–8) mixed clusters upon increase of the carbon content from x = 2 to x = 3. The wheel to ring transition is surprising because it is rather planar-to-linear type of transition to be expected in the series since B8, B8, B82 and CB7 are known to possess wheel-type global minimum structures while C8 is linear.

Graphical abstract: Molecular wheel to monocyclic ring transition in boron–carbon mixed clusters C2B6− and C3B5−

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Publication details

The article was received on 09 Feb 2011, accepted on 22 Mar 2011 and first published on 12 Apr 2011


Article type: Communication
DOI: 10.1039/C1CP20359B
Citation: Phys. Chem. Chem. Phys., 2011,13, 8805-8810
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    Molecular wheel to monocyclic ring transition in boron–carbon mixed clusters C2B6 and C3B5

    T. R. Galeev, A. S. Ivanov, C. Romanescu, W. Li, K. V. Bozhenko, L. Wang and A. I. Boldyrev, Phys. Chem. Chem. Phys., 2011, 13, 8805
    DOI: 10.1039/C1CP20359B

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