2004/03/01 by Attila Kovács, R.J.M. Konings · 2 citations
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemistry #Computational chemistry #Experimental data #Inorganic Chemistry and Materials #Inorganic Fluorides and Related Compounds #Ion #Lanthanide #Molecule #Organic chemistry #Physical chemistry #Physics #Quantum mechanics #Statistics #Vibration
paper · doi:10.1063/1.1595651
openalex publication_date 2004/03/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/06/26
In the present paper an assessment of experimental and theoretical data on the structure and molecular vibrations of all the LnX3 lanthanide trihalides (X=F,Cl,Br,I) is presented. Our review includes 114 references to recent advanced studies. These data facilitated the confirmation of previously suggested trends in the molecular properties of the title compounds and a reliable estimation of the data of less-studied LnX3 molecules. On the basis of the collected data, a comparative analysis of the experimental and computational results has been performed. This served to assess the capabilities of recent theoretical methods for the above molecular properties.