Quantum chemical modeling of valence tautomeric adducts of CoII bischelates with pyrene-4,5-diimines
Sign Up to like & getrecommendations! Published in 2017 at "Russian Chemical Bulletin"
DOI: 10.1007/s11172-017-1721-z
Abstract: Quantum chemical study of mixed-ligand (1: 1) adducts of tetracoordinated cobalt complexes (diketonates, bis-aminovinylketonates, and bis-salicylaldiminates) with pyrene-4,5-diimines using density functional theory (DFT B3LYP*/6-311++G(d,p)) revealed compounds possessing valence tautomeric properties. The mechanisms of intramolecular electron… read more here.
Keywords: pyrene diimines; quantum chemical; chemical modeling; modeling valence ... See more keywords
Molecular Valence Tautomeric Metal Complexes for Chemosensing.
Sign Up to like & getrecommendations! Published in 2021 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.1c01731
Abstract: Switchable valence tautomeric metal complexes have been long suggested for applications as chemosensors. However, no such molecular sensors have been yet reported. Here, we present a concept for sensing and the first prototype molecular sensor… read more here.
Keywords: tautomeric metal; valence; metal complexes; stypy ... See more keywords
Discovery of Kinetic Effect in a Valence Tautomeric Cobalt-Dioxolene Complex.
Sign Up to like & getrecommendations! Published in 2022 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.1c03898
Abstract: Two isostructural valence tautomeric (VT) complexes with different critical temperatures were prepared and fully investigated through a series of magnetic, structural, spectral, and differential scanning calorimetry evidence. The kinetic effect in the VT complex was… read more here.
Keywords: valence tautomeric; effect valence; discovery kinetic; kinetic effect ... See more keywords
One-Step versus Two-Step Valence Tautomeric Transitions in Tetraoxolene-Bridged Dinuclear Cobalt Compounds.
Sign Up to like & getrecommendations! Published in 2022 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.1c03944
Abstract: The syntheses of valence tautomeric compounds with multistep transitions using new redox-active ligands are the long-term goal of the field of bistable materials. The redox-active tetraoxolene ligand, 2,7-di-tert-butylpyrene-4,5,9,10-tetraone (pyreneQ-Q), is now developed to synthesize a… read more here.
Keywords: two step; step; one step; valence tautomeric ... See more keywords
A valence tautomeric cobalt-dioxolene complex with an anchoring group for prospective chemical grafting to metal oxides.
Sign Up to like & getrecommendations! Published in 2020 at "Dalton transactions"
DOI: 10.1039/d0dt03771k
Abstract: Here, we synthesized a valence tautomeric cobalt-dioxolene complex featuring a protected anchoring group. At room temperature, the complex reveals a nearly pure low-spin-Co(iii)-catecholate state in the solid state, but a nearly pure high-spin-Co(ii)-semiquinonate state in… read more here.
Keywords: anchoring group; dioxolene complex; cobalt dioxolene; tautomeric cobalt ... See more keywords
Electronic structure of cobalt valence tautomeric molecules in different environments.
Sign Up to like & getrecommendations! Published in 2023 at "Nanoscale"
DOI: 10.1039/d2nr06834f
Abstract: Future molecular microelectronics require the electronic conductivity of the device to be tunable without impairing the voltage control of the molecular electronic properties. This work reports the influence of an interface between a semiconducting polyaniline… read more here.
Keywords: coiii cat; tpp; electronic structure; valence tautomeric ... See more keywords