Boron Cluster Cations: Transition from Planar to Cylindrical Structures | Zendy

Oger Esther | Zendy; Crawford Nathan R. M. | Zendy; Kelting Rebecca | Zendy; Weis Patrick | Zendy; Kappes Manfred M. | Zendy; Ahlrichs Reinhart | Zendy

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Boron Cluster Cations: Transition from Planar to Cylindrical Structures

Author(s) -

Oger Esther,

Crawford Nathan R. M.,

Kelting Rebecca,

Weis Patrick,

Kappes Manfred M.,

Ahlrichs Reinhart

Publication year - 2007

Publication title -

angewandte chemie international edition

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 1433-7851

DOI - 10.1002/anie.200701915

Subject(s) - planar , boron , cluster (spacecraft) , maxima and minima , materials science , crystallography , cross section (physics) , molecular physics , chemistry , atomic physics , physics , mathematics , organic chemistry , computer science , quantum mechanics , computer graphics (images) , programming language , mathematical analysis

Above a certain size , boron clusters prefer a cylindrical arrangement over a planar one. Experimental determination of the collision cross section combined with density functional calculations showed that the transition to cylindrical structures takes place at B 16 + for boron clusters. The picture shows some of the investigated structures. The left column represents the global minima; the other columns show less favorable structures.

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