Abstract We are reporting the synthesis and structural characterization of a new family of butterfly complexes with formula Co2IIILn2III−(μ3−(OR))2 where −OR is an alcohol-amine type ligand, in this case N-methyldiethanolamine (H2mdea) with Ln=Tb, Dy, Ho, Er and Yb. This new family adds to the previously reported one, where the alcohol-amine ligand is triethanolamine (H3tea), and allows a one-to-one comparison between them. From a combined experimental study, that included DC and AC magnetometry as well as HF-EPR measurements, and a theoretical approach based on Broken-Symmetry DFT and CASSCF-SA-SOC ab-initio computations, we discuss the single molecule magnet (SMM) performance in these complexes. We focus in a few key structural parameters that correlate with the magnetization relaxation behaviour observed along the different explored lanthanide ions.
%0 Journal Article
%1 https://doi.org/10.1002/ejic.202100467
%A Funes, Alejandro V.
%A Perfetti, Mauro
%A Kern, Michal
%A Rußegger, Nadine
%A Carrella, Luca
%A Rentschler, Eva
%A van Slageren, Joris
%A Alborés, Pablo
%D 2021
%J European Journal of Inorganic Chemistry
%K from:michalkern myown
%N 31
%P 3191-3210
%R https://doi.org/10.1002/ejic.202100467
%T Single Molecule Magnet Features in the Butterfly CoIII2LnIII2 Pivalate Family with Alcohol-Amine Ligands
%U https://onlinelibrary.wiley.com/doi/abs/10.1002/ejic.202100467
%V 2021
%X Abstract We are reporting the synthesis and structural characterization of a new family of butterfly complexes with formula Co2IIILn2III−(μ3−(OR))2 where −OR is an alcohol-amine type ligand, in this case N-methyldiethanolamine (H2mdea) with Ln=Tb, Dy, Ho, Er and Yb. This new family adds to the previously reported one, where the alcohol-amine ligand is triethanolamine (H3tea), and allows a one-to-one comparison between them. From a combined experimental study, that included DC and AC magnetometry as well as HF-EPR measurements, and a theoretical approach based on Broken-Symmetry DFT and CASSCF-SA-SOC ab-initio computations, we discuss the single molecule magnet (SMM) performance in these complexes. We focus in a few key structural parameters that correlate with the magnetization relaxation behaviour observed along the different explored lanthanide ions.
@article{https://doi.org/10.1002/ejic.202100467,
abstract = {Abstract We are reporting the synthesis and structural characterization of a new family of butterfly complexes with formula [Co2IIILn2III−(μ3−(OR))2] where −OR is an alcohol-amine type ligand, in this case N-methyldiethanolamine (H2mdea) with Ln=Tb, Dy, Ho, Er and Yb. This new family adds to the previously reported one, where the alcohol-amine ligand is triethanolamine (H3tea), and allows a one-to-one comparison between them. From a combined experimental study, that included DC and AC magnetometry as well as HF-EPR measurements, and a theoretical approach based on Broken-Symmetry DFT and CASSCF-SA-SOC ab-initio computations, we discuss the single molecule magnet (SMM) performance in these complexes. We focus in a few key structural parameters that correlate with the magnetization relaxation behaviour observed along the different explored lanthanide ions.},
added-at = {2022-01-10T16:47:36.000+0100},
author = {Funes, Alejandro V. and Perfetti, Mauro and Kern, Michal and Rußegger, Nadine and Carrella, Luca and Rentschler, Eva and van Slageren, Joris and Alborés, Pablo},
biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2167b52f9aeea7f90ccf53a2f24d59a6e/iis},
doi = {https://doi.org/10.1002/ejic.202100467},
eprint = {https://onlinelibrary.wiley.com/doi/pdf/10.1002/ejic.202100467},
interhash = {07bb1fa792b395a893a0bc083a35e66f},
intrahash = {167b52f9aeea7f90ccf53a2f24d59a6e},
journal = {European Journal of Inorganic Chemistry},
keywords = {from:michalkern myown},
number = 31,
pages = {3191-3210},
timestamp = {2022-01-10T15:47:36.000+0100},
title = {Single Molecule Magnet Features in the Butterfly [CoIII2LnIII2] Pivalate Family with Alcohol-Amine Ligands},
url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/ejic.202100467},
volume = 2021,
year = 2021
}
