Attila Kovács and Rudy J.M. Konings

Structure and Vibrations of Lanthanide Trihalides. An Assessment of

Experimental and Theoretical Data.

Journal of Physical and Chemical Reference Data, 33 (2004) 377-404


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.

Experimental and selected computed bond distances of LnX3 compounds.



Experimental and selected computed vibrational frequencies of LnCl3 compounds.