Molecular wheel to monocyclic ring transition in boron-carbon mixed clusters C2B6̄ and C3B 5̄

Timur R. Galeev; Alexander S. Ivanov; Constantin Romanescu; Wei Li Li; Konstantin V. Bozhenko; Lai Sheng Wang; Alexander I. Boldyrev

doi:10.1039/c1cp20359b

Molecular wheel to monocyclic ring transition in boron-carbon mixed clusters C₂B₆^̄ and C₃B ₅^̄

Timur R. Galeev
, Alexander S. Ivanov
, Constantin Romanescu
, Wei Li Li
, Konstantin V. Bozhenko
, Lai Sheng Wang
, Alexander I. Boldyrev

Research output: Contribution to journal › Article › peer-review

34 Scopus citations

Abstract

In this joint experimental and theoretical work we present a novel type of structural transition occurring in the series of C_xB _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 B₈, B₈^̄, B₈ ^2- and CB₇^̄ are known to possess wheel-type global minimum structures while C₈ is linear.

Original language	English
Pages (from-to)	8805-8810
Number of pages	6
Journal	Physical Chemistry Chemical Physics
Volume	13
Issue number	19
DOIs	https://doi.org/10.1039/c1cp20359b
State	Published - May 21 2011
Externally published	Yes

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@article{d1ef38eb39c34798973f1aad6f3102fd,

title = "Molecular wheel to monocyclic ring transition in boron-carbon mixed clusters C2B{\=6} and C3B {\=5}",

abstract = "In this joint experimental and theoretical work we present a novel type of structural transition occurring in the series of CxB 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 B8, B{\=8}, B8 2- and CB{\=7} are known to possess wheel-type global minimum structures while C8 is linear.",

author = "Galeev, \{Timur R.\} and Ivanov, \{Alexander S.\} and Constantin Romanescu and Li, \{Wei Li\} and Bozhenko, \{Konstantin V.\} and Wang, \{Lai Sheng\} and Boldyrev, \{Alexander I.\}",

year = "2011",

month = may,

day = "21",

doi = "10.1039/c1cp20359b",

language = "English",

volume = "13",

pages = "8805--8810",

journal = "Physical Chemistry Chemical Physics",

issn = "1463-9076",

publisher = "Royal Society of Chemistry",

number = "19",

}

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 - https://www.scopus.com/pages/publications/79955529399

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 -

Molecular wheel to monocyclic ring transition in boron-carbon mixed clusters C₂B₆^̄ and C₃B ₅^̄

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