2009/06/02 by Czesław Rudowicz, Rudowicz, C., Paweł Gnutek +1
Chemistry · #Chemical Physics (physics.chem-ph) #Electrochemical Analysis and Applications #FOS: Physical sciences #History and advancements in chemistry #Materials Science (cond-mat.mtrl-sci) #Molecular spectroscopy and chirality
paper · pdf · doi:10.48550/arxiv.0906.0491
openalex publication_date 2009/06/02 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
Central quantities in spectroscopy and magnetism of transition ions in crystals are crystal field parameters (CFPs). Nature self-imposed limits on orthorhombic and lower symmetry CFPs, and existence of intrinsically incomparable CFP sets are elucidated. Comparisons of such CFP sets result in controversial claims, incorrect structural conclusions or CFP systematics, and misinterpretation of spectroscopic data. Considerable extent of such pitfalls in literature indicates many researchers remain unaware of the intrinsic features of low symmetry CFPs. This calls for coordinated remedial actions. To avoid pitfalls, comparative methodology based on standardization of the rhombicity ratio to express CFP sets in the same region of CF parameter space is proposed. Wider utilization of alternative CFP sets in the multiple correlated fitting technique to improve reliability (blessings) of final fitted CFPs is advocated. This review may be of interest to physicists and chemists working on various materials as well as to science historians and philosophers.