Article ID Journal Published Year Pages File Type
5418852 Journal of Molecular Structure: THEOCHEM 2007 4 Pages PDF
Abstract
B3LYP/6-31G∗∗ structure, energy, and vibrational frequencies have been calculated for the molecule C18H12O12. The molecule has two cages and D6h symmetry. Two cages containing oxygen atoms and sharing the same pentagon of carbon atoms fuse the molecule. Heat of formation of the molecule has been estimated here. Vibrational analysis as well as heat of formation indicates that the molecule enjoys sufficient stability to allow for its experimental preparation. Synthetic route of the molecule has been proposed in current work.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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