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The Lattice Energy of S-Traizine
R. Mason and A. I. M. Rae
Proceedings of the Royal Society of London. Series A, Mathematical and Physical Sciences
Vol. 304, No. 1479 (May 7, 1968), pp. 501-512
Published by: Royal Society
Stable URL: http://www.jstor.org/stable/2416057
Page Count: 12
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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.
Proceedings of the Royal Society of London. Series A, Mathematical and Physical Sciences © 1968 Royal Society