59747-06-7Relevant academic research and scientific papers
New air-stable zinc complexes formed from cyanoacrylate- and methylenemalonate-based [N2O2]-ligands and their role as catalysts in epoxide-CO2 coupling
Fuchs,Altesleben,Staudt,Walter,Zevaco,Dinjus
, p. 1658 - 1673 (2014)
The synthesis of a range of zinc complexes based on ligands displaying an N2O2-framework with cyanoacrylate and/or malonate functionality is presented. Some complexes could be examined via X-ray diffraction on single crystals, giving
Running in the Family: Molecular Factors controlling Spin Crossover of Iron(II) Complexes with Schiff-base like Ligands
Sch?nfeld, Sophie,Bauer, Wolfgang,Thallmair, Sebastian,H?rner, Gerald,Weber, Birgit
, p. 905 - 914 (2021)
Tailoring of spin state energetics of transition metal complexes and even the correct prediction of the resulting spin state is still a challenging task, both for the experimentalist and the theoretician. Apart from the complexity in the solid state imposed by packing effects, molecular factors of the spin state ordering are required to be identified and quantified on equal rights. In this work we experimentally record the spin states and SCO energies within an eight-member substitution-series of N4O2 ligated iron(II) complexes both in the solid state (SQUID magnetometry and single-crystal X-ray crystallography) and in solution (VT-NMR). The experimental survey is complemented by exhaustive theoretical modelling of the molecular and electronic structure of the open-chain N4O2 family and its macrocyclic N6 congeners through density-functional theory methods. Ligand topology is identified as the leading factor defining ground-state multiplicity of the corresponding iron(II) complexes. Invariably the low-spin state is sterically trapped in the macrocycles, whereas subtle substitution effects allow for a molecular fine tuning of the spin state in the open-chain ligands. Factorization of computed relative SCO energies holds promise for directed design of future SCO systems.
Synthesis of cyclic carbonates from epoxides and carbon dioxide catalyzed by an easy-to-handle ionic iron(iii) complex
Fuchs,Zevaco,Ember,Walter,Held,Dinjus,Doering
, p. 5322 - 5329 (2013)
We report the successful utilization of monometallic, ionic iron(ii)- and iron(iii)-N2O2-ligand-systems as highly active homogeneous catalysts for the conversion of CO2 with different epoxides to cyclic carbonates. The cat
