Search results for "multiorbital radical conductors"

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The Importance of Electronic Dimensionality in Multiorbital Radical Conductors.

2019

The exceptional performance of oxobenzene-bridged bis-1,2,3-dithiazolyls 6 as single-component neutral radical conductors arises from the presence of a low-lying π-lowest unoccupied molecular orbital, which reduces the potential barrier to charge transport and increases the kinetic stabilization energy of the metallic state. As part of ongoing efforts to modify the solid-state structures and transport properties of these so-called multiorbital materials, we report the preparation and characterization of the acetoxy, methoxy, and thiomethyl derivatives 6 (R = OAc, OMe, SMe). The crystal structures are based on ribbonlike arrays of radicals laced together by S···N' and S···O' secondary bondin…

Steric effects010405 organic chemistryChemistryRadicalElectronic structureCrystal structuremultiorbital radical conductors010402 general chemistryvapaat radikaalitkiteet01 natural sciencessähkönjohtavuus0104 chemical sciencesInorganic ChemistryCrystallographyelectronic dimensionalityElectronic effectAntiferromagnetismMolecular orbitalDensity functional theoryPhysical and Theoretical Chemistryta116Inorganic chemistry
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The Importance of Electronic Dimensionality in Multiorbital Radical Conductors

2019

The exceptional performance of oxobenzene-bridged bis-1,2,3-dithiazolyls 6 as single-component neutral radical conductors arises from the presence of a low-lying π-lowest unoccupied molecular orbital, which reduces the potential barrier to charge transport and increases the kinetic stabilization energy of the metallic state. As part of ongoing efforts to modify the solid-state structures and transport properties of these so-called multiorbital materials, we report the preparation and characterization of the acetoxy, methoxy, and thiomethyl derivatives 6 (R = OAc, OMe, SMe). The crystal structures are based on ribbonlike arrays of radicals laced together by S···N′ and S···O′ secondary bondin…

electronic dimensionalitymultiorbital radical conductorsvapaat radikaalitkiteetsähkönjohtavuus
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