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Symmetry properties of graphs of interest in chemistry. II. Desargues–Levi graph

✍ Scribed by Milan Randić


Publisher
John Wiley and Sons
Year
1979
Tongue
English
Weight
958 KB
Volume
15
Category
Article
ISSN
0020-7608

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✦ Synopsis


Abstract

The Desargues–Levi graph represents important chemical transformations: (1) isomerization routes for some carbonium ion rearrangements, (2) isomerization of trigonal bipyramidal structures, and (3) some pseudorotations of octahedral complexes. The symmetry properties of this graph have not been fully investigated in the past. Using the concept of the smallest binary code, all permutations which form the symmetry operations in the graph are registered. The resulting symmetry group can be represented as the direct product of S~5~ (the full symmetric permutation group on five objects) and C~i~ (the inversion in the center). There are 14 classes belonging to the following partitionings: 1^20^(1), 1^8^2^6^(1), 1^4^2^8^(1), 1^2^3^6^(1), 1^2^3^2^6^2^(1), 2 6^3^(2), 2^2^4^4^(2), 2^10^(3), 5^4^(1), and 10^2^(1). The total of 240 symmetry operations are distributed among the above 14 classes as follows: 1, 10, 15, 20, 20, 20, 20, 30, 30, 15, 10, 1, 24, and 24, respectively. Since partitioning cannot uniquely characterize a class, it is suggested that the distance between vertices in a cycle be introduced as an additional parameter to discriminate among classes having identical partitioning. Also, a suggestion to a generalization of the Mulliken notation for irreducible representations of the point molecular groups valid for more versatile symmetry groups of graphs is indicated.


📜 SIMILAR VOLUMES


Symmetry properties of chemical graphs.
✍ Milan Randić 📂 Article 📅 1983 🏛 John Wiley and Sons 🌐 English ⚖ 982 KB

Structures X y 3 X Y \* X Y g of symmetry (22" (of which propane is an example) are examined and the rearrangement due to the internal rotation of the end groups X Y s studied. The isomerization graph is constructed, various forms of which are displayed and the symmetry of which has been determined.