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Published in 2018 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2018.06.013
Abstract: Abstract The magnetically-active dinuclear metal complexes with previously unstudied di-o-quinone ligands comprising paramagnetic acene linkers have been investigated with the use of density functional theory quantum-chemical calculations (UTPSSh/UB3LYP/6-311++G(d,p)). Two types of linker groups are considered:…
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Keywords:
comprising paramagnetic;
dinuclear metal;
computational modeling;
linker groups ... See more keywords
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Published in 2019 at "Dalton transactions"
DOI: 10.1039/c9dt01380f
Abstract: Two different coordination types of fully fluorinated dinuclear metal complexes, [Fe2L4(OMe)2] and [M2L4(OH2)2] (M = Co2+, Ni2+ and HL = bis(pentafluorobenzoyl)methane), were obtained. All of the complexes form non-porous crystals, which act as hosts for…
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Keywords:
co2 ni2;
dinuclear metal;
non porous;
metal complexes ... See more keywords