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Summary Borane Derivatives: A New Class as Super and Hyperhalogens

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Super and hyperhalogens are a class of highly electronegative species whose electron affinities far exceed those of halogen atoms. And are important to chemical industry as oxidizing agents, bio-catalysts, and building blocks of salts.

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Borane Derivatives: A New Class as
Super and Hyperhalogens
 Super and hyperhalogens are a class of highly electronegative species
whose electron affinities far exceed those of halogen atoms.
 And are important to chemical industry as oxidizing agents, bio-catalysts,
and building blocks of salts.
 Wade-Mingos rule well known for describing the stability of closo-
boranes (BnHn2-)
 A new class of super and hyperhalogens, guided by Wade-Mingos rule,
can be formed by tailoring the size and composition of borane
derivatives.
 Conventional superhalogens which have a metal atom at the core
surrounded by halogen atoms, the superhalogens formed using the Wade-
Mingos rule do not have to have either halogen or metal atoms.
 We demonstrate this by using B12H13 and its isoelectronic cluster,
CB11H12 as examples.
 conventional superhalogens containing alkali atoms require at least two
halogen atoms, only one borane-like moiety is sufficient to give
M(B12H12) (M=Li, Na, K, Rb, Cs) clusters superhalogen properties.
 Hyperhalogens can be formed by using the above superhalogens as
building blocks.
 Examples M(B12H13)2 and M(C-B11H12)2 (M=Li - Cs).
 Electron counting rules play an important role in describing the stability
and chemistry of atoms and compounds.

, The octet rule
 The octet rule states that an atom needs eight electrons to close its s and p
shells, is responsible not only for the inertness of noble gas atoms but
also for the reactivity of elements such as alkali metals and halogens.


The 18-electron rule

 18 electrons are needed to close s, p, and d shells.
 It is mainly associated with compounds composed of transition metal
atoms such as Cr(C6H6)2 and Fe(C5H5)2


Wade-Mingos rule

 The stability of boranes (BnHn2-) is governed by the Wade-Mingos rule.
 Wade-Mingos rule states that in polyhedral borane clusters with n
vertices (n+1) pairs of electrons are needed for cage bonding.
 New class of superhalogens can be created by using the Wade-Mingos
rule without the benefit of either a metal or a halogen atom. In addition,
hyperhalogens can also be created with these superhalogens as building
blocks.


Superhalogens
 A conventional superhalogen has the formula MXn+1 where n is the
maximal valence of the metal atom M and X represents a halogen atom.

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