Structure and bonding of IrB12-: Converting a rigid boron B12 platelet to a Wankel motor

Liu L, Moreno D, Osorio E, Castro AC, Pan S, Chattaraj PK, Heine T, Merino G (2016)

Publication Type: Journal article

Publication year: 2016

Journal

RSC Advances Royal Society of Chemistry

Book Volume: 6

Pages Range: 27177-27182

Journal Issue: 32

DOI: 10.1039/c6ra02992b

Abstract

The global minimum of IrB12^- is a C3v symmetric bowl-like structure in which the Ir atom is located on the concave side of the bowl, similar to its lighter congeners, CoB12^- and RhB12^- clusters. Although all these MB12^- (M = Co, Rh, Ir) clusters show dynamical behaviour, analogous to that of the so-called 'Wankel motors', the energy barrier for the rotation of the inner B3 ring within the peripheral B9 ring is the lowest in the IrB12^- case (5.0 kcal mol^-1 only). The geometrical feature along with the lower interaction energy between B3 and MB9 moieties are responsible for a smaller rotational energy barrier in IrB12^- than those in CoB12^- and RhB12^- clusters.

Involved external institutions

Jacobs University Bremen gGmbH

Germany (DE) Center for Research and Advanced Studies of the National Polytechnic Institute / Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional (CINVESTAV-IPN)

Mexico (MX) Luis Amigó University Foundation

Colombia (CO) University of Girona / Universitat de Girona (UdG)

Spain (ES) Indian Institute of Technology Bombay

India (IN)

How to cite

APA:

Liu, L., Moreno, D., Osorio, E., Castro, A.C., Pan, S., Chattaraj, P.K.,... Merino, G. (2016). Structure and bonding of IrB12-: Converting a rigid boron B12 platelet to a Wankel motor. RSC Advances, 6(32), 27177-27182. https://doi.org/10.1039/c6ra02992b

MLA:

Liu, Lei, et al. "Structure and bonding of IrB12-: Converting a rigid boron B12 platelet to a Wankel motor." RSC Advances 6.32 (2016): 27177-27182.

BibTeX: Download