24214-78-6Relevant articles and documents
Probing the influence of the ligands on the magnetism of dinuclear manganese, iron, and chromium complexes supported by aroylhydrazone
Domingo, Alex,Specklin, David,Rosa, Vitor,Mameri, Samir,Robert, Vincent,Welter, Richard
, p. 2552 - 2560 (2014)
The influence of aroylhydrazone and bridging ligands on the exchange coupling constant (J) of five dinuclear metal complexes is analyzed through ab initio calculations. The complete active space second-order perturbation theory with localized orbitals off
Probing the influence of the ligands on the magnetism of dinuclear manganese, Iron, and chromium complexes supported by aroylhydrazone
Domingo, Alex,Specklin, David,Rosa, Vitor,Mameri, Samir,Robert, Vincent,Welter, Richard
, p. 2552 - 2560 (2015/04/27)
The influence of aroylhydrazone and bridging ligands on the exchange coupling constant (J) of five dinuclear metal complexes is analyzed through ab initio calculations. The complete active space second-order perturbation theory with localized orbitals offers not only estimates of J but also detailed information about the contributions of the molecular regions to the overall magnetism. This computational strategy is first validated for two previously reported ferromagnetic MnIII/MnIII and antiferromagnetic FeIII/FeIII complexes. Such calculations are extended to three new dinuclear complexes of MnIV, FeIII and CrIII constructed with a chemically simpler ligand (HL). We provide the synthesis and structural characterization (X-ray diffraction crystallography) of these three new compounds. The HL ligand exhibits little electronic influence over the J value, but it directs the magnetic properties of the compound by conditioning the relative arrangement of the metal centres.
Fast synthesis of N-acylhydrazones employing a microwave assisted neat protocol
Andrade, Marta M.,Barros, Maria Teresa
supporting information; experimental part, p. 245 - 247 (2010/08/19)
A variety of N-acylhydrazones were synthesized under microwave irradiation within 2.5-10 min, starting from benzo, salicyloyl, and isonicotinic hydrazides. The protocol developed employs microwave irradiation in the absence of solvents and catalysts, lead