Comparative X-Ray and Neutron Diffraction Study of Bonding Effects in s -Triazine
- 22 December 1967
- journal article
- Published by American Association for the Advancement of Science (AAAS) in Science
- Vol. 158 (3808) , 1577-1579
- https://doi.org/10.1126/science.158.3808.1577
Abstract
X-ray and neutron-diffraction data were combined for study of deviations from spherical symmetry of the atomic charge distributions in the small organic molecule s-triazine. The results indicate that density has migrated from the atomic regions into the bonds and into the nitrogen lone-pair region. Refinement procedures for x-ray data, which do not take these bonding effects into account, give parameters containing small but measurable errors.Keywords
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