0000000000219505

AUTHOR

Paul A. Dube

showing 5 related works from this author

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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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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CCDC 1902028: Experimental Crystal Structure Determination

2019

Related Article: Aaron Mailman, Craig M. Robertson, Stephen M. Winter, Paul A. Dube, Richard T. Oakley|2019|Inorg.Chem.|58|6495|doi:10.1021/acs.inorgchem.9b00691

Space GroupCrystallography4-oxo-7a8-dihydro-3H4H-benzo[12-d:54-d']bis[123]dithiazol-8-yl acetate radicalCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1902030: Experimental Crystal Structure Determination

2019

Related Article: Aaron Mailman, Craig M. Robertson, Stephen M. Winter, Paul A. Dube, Richard T. Oakley|2019|Inorg.Chem.|58|6495|doi:10.1021/acs.inorgchem.9b00691

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters8-(methylsulfanyl)-3H4H-benzo[12-d:54-d']bis[123]dithiazol-4-one radicalExperimental 3D Coordinates
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CCDC 1902029: Experimental Crystal Structure Determination

2019

Related Article: Aaron Mailman, Craig M. Robertson, Stephen M. Winter, Paul A. Dube, Richard T. Oakley|2019|Inorg.Chem.|58|6495|doi:10.1021/acs.inorgchem.9b00691

Space GroupCrystallographyCrystal SystemCrystal Structure8-methoxy-3H4H-benzo[12-d:54-d']bis[123]dithiazol-4-one radicalCell ParametersExperimental 3D Coordinates
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