Like Charges Attract?

Abstract

Using multiscale first-principles calculations, we show that two interacting negatively charged B 12 I 9 − monoanions not only attract, in defiance of the Coulomb's law, but also the energy barrier at 400 K is small enough that these two moieties combine to form a stable B 24 I 18 2− moiety. Ab initio molecular dynamics simulations further confirm its stability up to 1500 K. Studies of other B 12 X 9 − (X = Br, Cl, F, H, Au, CN) show that while all of these B 24 X 18 2− moieties are stable against dissociation, the energy barrier, with the exception of B 24 Au 18 2− , is large so as to hinder their experimental observation. Our results explain the recent experimental observation of the "spontaneous" formation of B 24 I 18 2− in an ion trap. A simple model based upon electrostatics shows that this unusual behavior is due to competition between the attractive dipole−dipole interaction caused by the aspherical shape of the particle and the repulsive interaction between the like charges.

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Multifunctionality of silver closo-boranes

“…However, the borane anion could also be oxidized to monovalent or neutral species, which have been theoretically and experimentally investigated (that is, B 12 X 12 − or B 12 X 12 , X =H, F, Cl, Br, I)272829.…”

Do surfaces of positive electrostatic potential on different halogen derivatives in molecules attract? like attracting like!

“…However, we focus only on a specific type of attraction between the aforementioned monomers that can be relevant to the question raised and answered by Lekner (see above) . The main aim of this study is thus to show whether the electrostatic model explanation alone, as those provided by Zhao et al, Lekner, and others, can account for the attraction between similarly charged covalently‐bound halogens, especially when the small regions on the halogen atoms of similar but unequal electrostatic potential in different molecules are in close proximity. If they do so, can such an attraction lead to the formation of intermolecular complexes?…”

“…Recently, it has been shown that “like can attract like.” Using first‐principles calculations, Zhao et al have shown that two fully negatively charged monoanions can not only attract each other, which is against Coulomb's law, but furthermore that the energy barrier between them at 400 K is so small that these two negatively charged species can combine to form a stable complex . The authors used a simplistic electrostatic model to provide a possible answer to this unusual feature.…”