Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5418852 | Journal of Molecular Structure: THEOCHEM | 2007 | 4 Pages |
Abstract
B3LYP/6-31Gââ 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
Authors
Feng-Ling Liu, Zhong-Mei Song,