TY - JOUR
T1 - Molecular wheel to monocyclic ring transition in boron-carbon mixed clusters C2B6̄ and C3B 5̄
AU - Galeev, Timur R.
AU - Ivanov, Alexander S.
AU - Romanescu, Constantin
AU - Li, Wei Li
AU - Bozhenko, Konstantin V.
AU - Wang, Lai Sheng
AU - Boldyrev, Alexander I.
PY - 2011/5/21
Y1 - 2011/5/21
N2 - In this joint experimental and theoretical work we present a novel type of structural transition occurring in the series of CxB 8-x̄ (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, B8̄, B8 2- and CB7̄ are known to possess wheel-type global minimum structures while C8 is linear.
AB - In this joint experimental and theoretical work we present a novel type of structural transition occurring in the series of CxB 8-x̄ (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, B8̄, B8 2- and CB7̄ are known to possess wheel-type global minimum structures while C8 is linear.
UR - http://www.scopus.com/inward/record.url?scp=79955529399&partnerID=8YFLogxK
U2 - 10.1039/c1cp20359b
DO - 10.1039/c1cp20359b
M3 - Article
AN - SCOPUS:79955529399
SN - 1463-9076
VL - 13
SP - 8805
EP - 8810
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
IS - 19
ER -