Abstract
We present structural plots for AB2 molecules and solids with sp-bonding based on parameters derived from valence electron orbital radii. We show that the same schemes that allow one to classify crystals with different structures, are also able to distinguish molecular shapes into linear and bent. Our picture is consistent with the existence of a critical numberN c =16of valence electrons, in agreement with the Mulliken-Walsh rule, and accounts for many exceptions to the latter in the caseN≤16. We discuss critically our findings and announce new results on AB3 molecules. We also discuss preliminary results of model calculations on AB2 molecules.
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Paper from Conference on Quantum Theory and Experiment, July 1986
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Andreoni, W., Galli, G. Unified structural classification of AB2 molecules and solids from valence electron orbital radii. Phys Chem Minerals 14, 389–395 (1987). https://doi.org/10.1007/BF00628814
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DOI: https://doi.org/10.1007/BF00628814