Related Experiment Video
Updated: Aug 9, 2026

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
Published on: February 15, 2016
Mathematical description of molecular structure: Molecular topology
1Central Research and Development Department, E. I. du Pont de Nemours and Company, Experimental Station, Wilmington, Delaware 19898.
Abstract:
The concepts of the topology of finite point sets are applied to a mathematical description of molecular structure. The combinatorial properties of the "bond topology," which arises naturally from atomic adjacency relationships within a molecule, are investigated in detail. The collection of closed sets, the cotopology, is found to be related to bonding. Combinatorial weights of bonds over the cotopology are defined and explicit expressions for a general molecule are derived. The bond weights are found to parallel molecular orbital bond orders. It is concluded that much of the variation in pi bond orders is topological in origin.
Related Concept Videos
Molecular Shapes
MO Theory and Covalent Bonding
Newman Projections
The organic molecules rotate across the single bonds leading to numerous temporary three-dimensional structures of varying energy known as conformers.
Molecular Models
Molecular Orbital Theory I
Molecular Orbital Theory II

