Molecular wheel to monocyclic ring transition in boron-carbon mixed clusters C2B6⁻ and C3B5

In this joint experimental and theoretical work we present a novel type of structural transition occurring in the series of C(x)B(8-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...

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Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 2011-01, Vol.13 (19), p.8805-8810
Main Authors: Galeev, Timur R, Ivanov, Alexander S, Romanescu, Constantin, Li, Wei-Li, Bozhenko, Konstantin V, Wang, Lai-Sheng, Boldyrev, Alexander I
Format: Article
Language:English
Subjects:
Carbon content
Clusters
Physical chemistry
Wheels
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Summary:In this joint experimental and theoretical work we present a novel type of structural transition occurring in the series of C(x)B(8-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 B(8), B(8)(-), B(8)(2-) and CB(7)(-) are known to possess wheel-type global minimum structures while C(8) is linear.
ISSN:1463-9076
1463-9084
DOI:10.1039/c1cp20359b