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Ken Wade developed a method for the prediction of shapes of borane cluster ;
however it may be used for a wide range of substituted boranes as well as other
classes of cluster compound.
WADE’S RULE
Wade’s rule are used to rationalize the shape of borane clusters by calculating the total number
of skeletal electron pair (SEP) available for cluster bonding.
Closo comes from the Greek for cage , Nido the Latin for nest , Arachno the Greek for
spider , Hypo the Greek for net , & klado the Greek for branch.
Example (boranes)
Structure of B12H12-2
C, Si, Ge, Sn BH
N, P, As BH2
S, Se BH3
These represent the most common main group heteroatoms incorporated into hydro borane cluster.
Isolobal vertex unit
The isolobal analogy could also be extended for isolobal transitions metal units.
For example:- B5H9
1. SEP for BH unit = 3+1-2 = 2
2. SEP for CpCo unit = 5+9-12 = 2
Therefore , a BH unit can be replaced by CpCo.
DRAWBACKS OF WADE’S RULE
1.Wade’s Rule can predict the shape of the molecule however it does not predict the geometry.
2.In presence of substituents such as halogen’s or amino group which can meet the electronic demands of boron by
means of back bonding , Wade’s structural scheme is violated.
• The heterocycle C4H4B2F2 has a planar structure rather than a nido structure , the latter being predicted by wade’s
rule. (C4H4B2F2 is isoelectronic with C4B2H6).
C4B2H6:-
Skeletal electron count = 4(CH) +2(BH) = 4(3) +2(2) = 16
SEP = 16/2 = 8
If n+1 = 8 & n-1=6 boron atoms , then n=7(number of vertices of parent polyhedral)
Structure of n=7 is a pentagonal bipyramid therefore C4B2H6 is a nido based upon a pentagonal bipyramid with one apex
missing i.e. pentagonal pyramidal.
Continued…
3.Wade’s rule could not be justified in case of condensed polyhedral. Hence, Mingo’s fusion formalism came into the
picture.
B20H16
SEP = n+1 = 21 (closo)
16 BH unit = 16(2) = 32
4 B unit = 4(3) = 12
SEP = 44/2 = 22
According to this , charge of the molecule = +2 , But the molecule is neutral. Hence mno rule came forward to explain
electron counting.
References