Computational modeling of the dinuclear metal complexes with di-o-quinones comprising paramagnetic acene linker groups
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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:… read more here.
Keywords: comprising paramagnetic; dinuclear metal; computational modeling; linker groups ... See more keywords