0000000000471628

AUTHOR

Juha Välivaara

showing 5 related works from this author

Experimental and Computational Study of Unique Tetranuclear µ 3 ‐Chloride and µ‐Phenoxo/Chloro‐Bridged Defective Dicubane Cobalt(II) Clusters

2016

Two tetranuclear CoII clusters [Co4(L)2(µ3-Cl)2Cl2] have been prepared by using multidentate diaminobisphenolate ligands. The solid-state structures of the complexes were determined by single-crystal X-ray diffraction. The cores of the cluster compounds can be defined as a two-vertex-deficient dicubane geometry (pseudo-dicubane). In the central unit, the cobalt(II) cations are linked through phenoxide oxygen (outer bridges) and chloride anions (inner bridges), previously unprecedented in this type of cobalt cluster. The magnetic properties were studied by both experimental and computational methods. By using a combination of techniques, we were able to determine the nature and strength of t…

DenticityStereochemistryChemistrychemistry.chemical_element02 engineering and technology010402 general chemistry021001 nanoscience & nanotechnologycobalt01 natural sciencesChloride0104 chemical sciencesMagnetic exchangeInorganic ChemistryCrystallographyCentral unitIntramolecular forcedensity functional calculationsmedicineCluster (physics)cluster compoundsmagnetic properties0210 nano-technologyta116Cobaltmedicine.drugEuropean Journal of Inorganic Chemistry
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Experimental and Computational Study of Unique Tetranuclear µ3-Chloride and µ-Phenoxo/Chloro-Bridged Defective Dicubane Cobalt(II) Clusters

2016

Two tetranuclear CoII clusters [Co4(L)2(µ3-Cl)2Cl2] have been prepared by using multidentate diaminobisphenolate ligands. The solid-state structures of the complexes were determined by single-crystal X-ray diffraction. The cores of the cluster compounds can be defined as a two-vertex-deficient dicubane geometry (pseudo-dicubane). In the central unit, the cobalt(II) cations are linked through phenoxide oxygen (outer bridges) and chloride anions (inner bridges), previously unprecedented in this type of cobalt cluster. The magnetic properties were studied by both experimental and computational methods. By using a combination of techniques, we were able to determine the nature and strength of t…

magneettiset ominaisuudetdensity functional calculationscluster compoundskoboltti
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Ferromagnetic dinuclear mixed-valence Mn(II)/Mn(III) complexes: building blocks for the higher nuclearity complexes. structure, magnetic properties, …

2013

A series of six mixed-valence Mn(II)/Mn(III) dinuclear complexes were synthesized and characterized by X-ray diffraction. The reactivity of the complexes was surveyed, and structures of three additional trinuclear mixed-valence Mn(III)/Mn(II)/Mn(III) species were resolved. The magnetic properties of the complexes were studied in detail both experimentally and theoretically. All dinuclear complexes show ferromagnetic intramolecular interactions, which were justified on the basis of the electronic structures of the Mn(II) and Mn(III) ions. The large Mn(II)-O-Mn(III) bond angle and small distortion of the Mn(II) cation from the ideal square pyramidal geometry were shown to enhance the ferromag…

DiffractionModels MolecularManganeseValence (chemistry)Molecular StructureChemistryInorganic ChemistryCrystallographyMagnetic FieldsFerromagnetismComputational chemistryMagnetsOrganometallic CompoundsQuantum TheoryDensity functional theoryPhysical and Theoretical Chemistryta116Inorganic chemistry
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CCDC 1430995: Experimental Crystal Structure Determination

2016

Related Article: Mikko. M. Hänninen, Juha Välivaara, Joan Cano, Reijo Sillanpää and Enrique Colacio|2016|Eur.J.Inorg.Chem.||1192|doi:10.1002/ejic.201501190

Space GroupCrystallographyCrystal SystemCrystal Structurebis(mu-chloro)-bis(mu-22'-(((2-(morpholin-4-yl)ethyl)azanediyl)bis(methylene))bis(6-methoxy-4-(prop-2-en-1-yl)phenolato))-dichloro-tetra-cobalt acetonitrile solvateCell ParametersExperimental 3D Coordinates
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CCDC 1430996: Experimental Crystal Structure Determination

2016

Related Article: Mikko. M. Hänninen, Juha Välivaara, Joan Cano, Reijo Sillanpää and Enrique Colacio|2016|Eur.J.Inorg.Chem.||1192|doi:10.1002/ejic.201501190

Space GroupCrystallographyCrystal Systembis(mu-chloro)-bis(mu-22'-(((2-(morpholin-4-yl)ethyl)azanediyl)bis(methylene))bis(6-methoxy-4-methylphenolato))-dichloro-tetra-cobalt acetonitrile solvateCrystal StructureCell ParametersExperimental 3D Coordinates
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