Structure and bonding of IrB12-: Converting a rigid boron B12 platelet to a Wankel motor
Publikation: Beitrag in Fachzeitschrift › Forschungsartikel › Beigetragen › Begutachtung
Beitragende
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.
Details
Originalsprache | Englisch |
---|---|
Seiten (von - bis) | 27177-27182 |
Seitenumfang | 6 |
Fachzeitschrift | RSC advances |
Jahrgang | 6 |
Ausgabenummer | 32 |
Publikationsstatus | Veröffentlicht - 2016 |
Peer-Review-Status | Ja |
Extern publiziert | Ja |