TY - JOUR AU - Jørgensen, Christian K. PY - 1992/11/25 Y2 - 2024/03/28 TI - Are High Heats of Atomization for Many Oxides and Fluorides of Z above 37 due to Enhanced Correlation Energy? JF - CHIMIA JA - Chimia VL - 46 IS - 11 SE - Forschung DO - 10.2533/chimia.1992.444 UR - https://www.chimia.ch/chimia/article/view/1992_444 SP - 444 AB - <p>Heats of atomization H<sub>a</sub> (per atom) are compared for for 28 diatomic oxides, 14 diatomic fluorides, 26 solid and 2 polyatomic gaseous oxides, 9 solid and 5 polyatomic gaseous fluorides. There is no universal trend toward lower H<sub>a</sub> with increasing <em>Z</em> in a column of the Periodic Table; d-group, post-d-group, and partly filled 4f and 5f shells encourage smaller H<sub>a</sub> but barium, lanthanum, lutetium, hafnium, tantalum, (to the largest extent thorium), and uranium show unexpected high H<sub>a</sub>. This 'Barium-Thorium Effect' can be rationalized by known facts of correlation energy in atoms and (light) compounds, possibly including indirect relativistic effects due to distorted AO in LCAO.</p> ER -