Correlation diagrams for rigid and nonrigid five-body and XY5 six-body systems
- 1 April 1982
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 76 (7) , 3679-3691
- https://doi.org/10.1063/1.443406
Abstract
Correlation diagrams are constructed to connect the rotation–vibration energy levels of idealized limiting models for penta–atomic molecules. One limit is the completely nonrigid homonuclear five‐body cluster. The method of plethysms is applied to classify the states of the nonrigid limit.Several rigid limits are considered: trigonal bipyramidal, tetrahedral, square pyramidal, pentagonal planar, and regular linear chain molecules. The tetrahedral and square pyramidal examples are generalized to allow the atom in the unique central position to differ from the rest giving (four+one)‐body systems. A rigid/nonrigid energy level correlation diagram is also constructed for an XY5 molecule having trigonal bipyramidal point symmetry in the rigid limit. The steps are outlined that will be necessary for applying these diagrams to the interpretation of real molecular spectra.Keywords
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