Inorganic Chemistry · 2021 · 35 citations · 49 references
Natural SciencesChemistryPhysicsInorganic ChemistryPhysical ChemistrySolid-state ChemistryCoordination ChemistryMagnetic Properties Of SolidsMagnetism Of Inorganic CompoundsMetal-ligand BondingTransition Metal ChemistryTransition Metal ComplexesHigh-spin StatesLigand Steric EffectsMagnetic Properties Of Coordination ComplexesMagnetic Properties Of Transition Metal ComplexesMagnetism Of Transition Metal ComplexesSpin Crossover CompoundsSpin Crossover PhenomenaTetrahedral Coordination
suggest that the Fe···OMe interaction is retained upon spin-crossover. Despite the difference in coordination environment, the weak OMe donors do not significantly alter the electronic structure or ligand-field splitting, and the occurrence of spin-crossover (similar to the compounds lacking the OMe groups) originates from a large degree of metal-ligand π-covalency.
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13
A short history of<i>SHELX</i>
George M. Sheldrick · Acta Crystallographica Section A Foundations of Crystallography · 2007 · 87.4K citations · Full text