Abstract

AbstractThe first ionization potential of Na is close to that of Li but much larger than that of K. Similar trends were noted for the electronegativities or for the calculated atomic charges in partially covalent alkali metal hydrides MH or methide compounds, MCH3 (M=Li–Cs) by Lambert, Kaupp, and Schleyer. This trend can be understood by combining the effects of the nodal structure, as function of the principal quantum number, n, and the lanthanide contraction‐like effects of partial screening from both the 1s and 2p shells. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001

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