Abstract
The contributions of the dispersive and repulsive potentials to the lattice energy of
S
-triazine are calculated on the basis of bond-bond and atom-atom interactions respectively. The cell dimensions obtained by minimizing the energy agree with the experimental data to within 4% and the heat of sublimation derived from the vapour pressure measurements is quite close to the calculated lattice energy. The probable effect of the electrostatic forces is discussed and found to be of only marginal importance in determining the crystal structure. No evidence is found for anomalously large repulsions by the nitrogen-lone pair electrons.
Reference19 articles.
1. Allinger N. L. C arpenter J . G. D. & K arkow ski F . M. 1965 Chem. 87 1232.
2. Allinger N. L. & Chow T hai J . 1965 J.A m . Chem. Soc.
3. A roney M. & Le Ferre R . J . W . 1958 J . Chem. Soc. p. 3002.
4. Proc. Boy;Bacon G. E .;Soc. A,1964
5. Bannerjee K . & Salem L. 1966 Molec. P hys. 11 405.
Cited by
28 articles.
订阅此论文施引文献
订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献