Conformers of [$$\hbox {MX(AB)}_{5}$$MX(AB)5] and [$$\hbox {MX(ABC)}_{5}$$MX(ABC)5] complexes have been enumerated on the basis of computational group theory, where M is the central metal, X is the monoatomic ligand, and… Click to show full abstract
Conformers of [$$\hbox {MX(AB)}_{5}$$MX(AB)5] and [$$\hbox {MX(ABC)}_{5}$$MX(ABC)5] complexes have been enumerated on the basis of computational group theory, where M is the central metal, X is the monoatomic ligand, and AB and ABC are the diatomic and bent triatomic ligands, respectively, which bound to M through A. For the [$$\hbox {MX(AB)}_{5}$$MX(AB)5] complex, 35 bisected diastereomers have been found as 2 $$C_{s}$$Cs, and 33 $$C_{1}$$C1. Based on the 35 diastereomers of the $$\hbox {MX(AB)}_{6}$$MX(AB)6 core unit, 8271 conformers have been found for the [$$\hbox {MX(ABC)}_{5}$$MX(ABC)5] complex, which are assigned to two point groups, 18 $$C_{s}$$Cs, and 8253 $$C_{1}$$C1.
               
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