Premium
Symmetry properties of chemical graphs. VI. Isomerizations of octahedral complexes
Author(s) -
Randić Milan,
Davis Michael I.
Publication year - 1984
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560260106
Subject(s) - isomerization , octahedron , diagonal , vertex (graph theory) , graph , octahedral symmetry , symmetry (geometry) , chemistry , automorphism , combinatorics , mathematics , twist , computational chemistry , crystallography , stereochemistry , pure mathematics , crystal structure , geometry , catalysis , organic chemistry , ion
Isomerization of octahedral complexes XY 6 , by a mechanism known as diagonal twist (in which two ligands in cis positions, one to another, exchange sites) is considered. Construction of the corresponding isomerization graph is outlined (reported before by Balaban) and the problem of determining its symmetry is considered. Alternative routes for deducing the order of the automorphism group are described. The group is confirmed to be S 6 and representative symmetry permutations (one for each of the 11 classes of S 6 ) are shown. Alternative pictorial representations of the 15‐vertex graph are also shown.