Search results for "Silole"

showing 3 items of 3 documents

Experimental and Theoretical Studies on Magnetic Exchange in Silole-Bridged Diradicals.

2006

International audience; Five bis(tert-butylnitroxide) diradicals connected by a silole [2,5-R2-3,4-diphenylsilole; R = Me3CN(®O.bul.)Z; Z = p-C6H4 (7a), p-C6H4C6H4-p (7b), 1,4-naphthalenediyl (7c), m-C6H4 (7d)] or a thiophene [2,5-R2-thiophene; R = p-Me3CN(®O.bul.)C6H4 (12)] ring as a coupler were studied. Compd. 12 crystallizes in the orthorhombic space group Pna21 with a 20.752(5), b 5.826(5), and c 34.309(5) .ANG.. X-ray crystal structure detn., electronic spectroscopy, variable-temp. EPR spectroscopy, SQUID measurements and DFT computations (UB3LYP/6-31+G*) were used to study the mol. conformations and electronic spin coupling in this series of mols. Whereas compds. 7b, 7c, and 7d are q…

Models MolecularFree RadicalsSiloleCrystal structure010402 general chemistryRing (chemistry)01 natural sciencesDFTCatalysislaw.inventionchemistry.chemical_compoundNitroxide diradicalMagnetic interactionslawComputational chemistryThiopheneAntiferromagnetismOrganosilicon CompoundsSinglet stateTriplet stateElectron paramagnetic resonance010405 organic chemistryChemistry[CHIM.ORGA]Chemical Sciences/Organic chemistryOrganic ChemistryElectron Spin Resonance SpectroscopyGeneral Chemistry0104 chemical sciences[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryCrystallographyModels ChemicalButanesDiamagnetismEPR spectroscopy
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CCDC 1035163: Experimental Crystal Structure Determination

2014

Related Article: Felicitas Lips, Akseli Mansikkamäki, James C. Fettinger, Heikki M. Tuononen, Philip P. Power|2014|Organometallics|33|6253|doi:10.1021/om500947x

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters34-Dimethyl-11-bis((22''66''-tetraisopropyl-11':3'1''-terphenyl-2'-yl)sulfanyl)-25-dihydro-1H-silole toluene solvateExperimental 3D Coordinates
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CCDC 2118009: Experimental Crystal Structure Determination

2022

Related Article: Joschua Helmer, Olli J. Pakkanen, Chris Gendy, Alexander Hepp, Heikki M. Tuononen, Felicitas Lips|2022|Chem.Commun.|58|3549|doi:10.1039/D2CC00298A

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters9-bromo-N4N8-bis[dimethyl(phenyl)silyl]-N4N81-tris[26-bis(propan-2-yl)phenyl]-22-dimethyl-14a79-tetrahydro-2H-73-(metheno)silolo[1'2':34]trisileto[21-b][1235]azatrisilole-48-diamine toluene solvateExperimental 3D Coordinates
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