Electronegativity, charge transfer, crystal field strength, and the point charge model revisited

Peter Anthony TANNER, Lixin NING

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

Although the optical spectra of LnCl₆⁹– systems are complex, only two crystal field parameters, B₄₀ and B₆₀, are required to model the J-multiplet crystal field splittings in octahedral symmetry. It is found that these parameters exhibit R–⁵ and R–⁷ dependence, respectively, upon the ionic radius Ln³+(VI), but not upon the Ln–Cl distance. More generally, the crystal field strengths of LnX₆ systems (X = Br, Cl, F, O) exhibit linear relationships with ligand electronegativity, charge transfer energy, and fractional ionic character of the Ln–X bond. Copyright © 2013 American Chemical Society.
Original languageEnglish
Pages (from-to)1503-1507
JournalJournal of Physical Chemistry A
Volume117
Issue number7
DOIs
Publication statusPublished - Jan 2013

Citation

Tanner, P. A., & Ning, L. (2013). Electronegativity, charge transfer, crystal field strength, and the point charge model revisited. Journal of Physical Chemistry A, 117(7), 1503–1507.

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