Jump to main content
Jump to site search

Issue 8, 2014
Previous Article Next Article

Spectroscopic determination of crystal field splittings in lanthanide double deckers

Author affiliations

Abstract

We have investigated the crystal field splitting in the archetypal lanthanide-based single-ion magnets and related complexes (NBu4)+[LnPc2]·2dmf (Ln = Dy, Ho, Er; dmf = N,N-dimethylformamide) by means of far infrared and inelastic neutron scattering spectroscopies. In each case, we have found several features corresponding to direct crystal field transitions within the ground multiplet. The observation of three independent peaks in the holmium derivative enabled us to derive crystal field splitting parameters. In addition, we have carried out CASSCF calculations. We show that exploiting the interplay of CASSCF calculation (for the composition of the states) and advanced spectroscopic measurements (for accurate determination of the energies) is a very powerful approach to gain insight into the electronic structure of lanthanide-based single-molecule magnets.

Graphical abstract: Spectroscopic determination of crystal field splittings in lanthanide double deckers

Back to tab navigation

Supplementary files

Article information


Submitted
12 Mar 2014
Accepted
22 May 2014
First published
23 May 2014

Chem. Sci., 2014,5, 3287-3293
Article type
Edge Article

Spectroscopic determination of crystal field splittings in lanthanide double deckers

R. Marx, F. Moro, M. Dörfel, L. Ungur, M. Waters, S. D. Jiang, M. Orlita, J. Taylor, W. Frey, L. F. Chibotaru and J. van Slageren, Chem. Sci., 2014, 5, 3287
DOI: 10.1039/C4SC00751D

Social activity

Search articles by author

Spotlight

Advertisements