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Updated: Jun 4, 2026

Site Directed Spin Labeling and EPR Spectroscopic Studies of Pentameric Ligand-Gated Ion Channels
Published on: July 4, 2016
Ab initio theory for ultrafast magnetic local spin flip on the newly synthesized homodinuclear complex
G Lefkidis1, C Li, G Pal
1Department of Physics and Research Center OPTIMAS, Kaiserslautern University of Technology, PO Box 3049, 67653 Kaiserslautern, Germany. lefkidis@physik.uni-kl.de
Abstract:
We present a fully ab initio calculation, the synthesis and the characterization of the homodinuclear [Ni(2)(II)(L-N(4)Me(2))(emb)] complex, which can act as a prototypic, realistic substance for ultrafast laser-induced spin dynamics. The new compound, which has been synthesized and characterized, consists of two magnetic centers with different spin properties and different local symmetries (distorted octahedral versus distorted square-planar) and exhibits strong spin localization. We calculate the vibrational and electronic spectra of the compound and predict a local spin-flip scenario. The very existence and the properties of the compound represent an important step toward ultrafast experimental spin dynamics in ligand-stabilized multicenter compounds and paves the path toward laser-induced magnetic logic on a single molecule.
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