Search results for "2-Benzoquinone"

showing 7 items of 7 documents

ChemInform Abstract: Valence Tautomeric Interconversion in Transition Metal 1,2-Benzoquinone Complexes

2010

Crystallographychemistry.chemical_compoundValence (chemistry)Transition metalChemistryGeneral MedicineTautomer12-BenzoquinoneChemInform
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Electronic fluxes during diels-alder reactions involving 1,2-benzoquinones: mechanistic insights from the analysis of electron localization function …

2012

By means of the joint use of electron localization function (ELF) and Thom's catastrophe theory, a theoretical analysis of the energy profile for the hetero-Diels-Alder reaction of 4-methoxy-1,2-benzoquinone 1 and methoxyethylene 2 has been carried out. The 12 different structural stability domains obtained by the bonding evolution theory have been identified as well as the bifurcation catastrophes (fold and cusp) responsible for the changes in the topology of the system. This analysis permits finding a relationship between the ELF topology and the evolution of the bond breaking/forming processes and electron pair rearrangements through the reaction progress in terms of the different ways o…

Diels-Alder reactionsElectron pairElectron localization functionMolecular StructureChemistryCatastrophe theoryRegioselectivityElectronsGeneral ChemistryElectron localization function12-benzoquinonesComputational MathematicsRegioselectivityEnergy profileNucleophileChemical physicsComputational chemistryElectrophileBenzoquinonesQuantum TheoryDensity functional theoryCatastrophe theoryJournal of Computational Chemistry
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CCDC 998898: Experimental Crystal Structure Determination

2015

Related Article: Alexandre Abherve, Miguel Clemente-Leon, Eugenio Coronado, Carlos J. Gomez-Garcia, Martin Verneret|2014|Inorg.Chem.|53|12014|doi:10.1021/ic5016803

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[(22'-(25811-tetraazadodeca-111-diene-112-diyl)bis(4-chlorophenolato))-iron(iii) tris(mu-36-dibromo-45-dioxy-12-benzoquinone)-chromium(iii)-manganese(ii) acetonitrile dichloromethane methanol solvate tetrahydrate]Experimental 3D Coordinates
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CCDC 943453: Experimental Crystal Structure Determination

2013

Related Article: Inhar Imaz, Georges Mouchaham, Nans Roques, Stéphane Brandès, and Jean-Pascal Sutter|2013|Inorg.Chem.|52|11237|doi:10.1021/ic401474f

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterstetra-potassium tetrakis(36-dichloro-45-dioxy-12-benzoquinone)-zirconium(iv) hexahydrateExperimental 3D Coordinates
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CCDC 943451: Experimental Crystal Structure Determination

2013

Related Article: Inhar Imaz, Georges Mouchaham, Nans Roques, Stéphane Brandès, and Jean-Pascal Sutter|2013|Inorg.Chem.|52|11237|doi:10.1021/ic401474f

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterstetra-potassium tetrakis(45-dioxy-12-benzoquinone)-zirconium(iv) nonahydrateExperimental 3D Coordinates
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CCDC 943452: Experimental Crystal Structure Determination

2013

Related Article: Inhar Imaz, Georges Mouchaham, Nans Roques, Stéphane Brandès, and Jean-Pascal Sutter|2013|Inorg.Chem.|52|11237|doi:10.1021/ic401474f

Space GroupCrystallographyCrystal SystemCrystal Structuretetra-potassium tetrakis(45-dioxy-12-benzoquinone)-zirconium(iv)Cell ParametersExperimental 3D Coordinates
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CCDC 984545: Experimental Crystal Structure Determination

2014

Related Article: Samia Benmansour, Eugenio Coronado, Carlos Giménez-Saiz, Carlos J. Gómez-García, Carola Rößer|2014|Eur.J.Inorg.Chem.||3949|doi:10.1002/ejic.201402023

Space GroupCrystallographytris(36-dichloro-45-dioxy-12-benzoquinone)-iron hexakis(2-(56-dihydro[13]dithiolo[45-b][14]dithiin-2-ylidene)-56-dihydro[13]dithiolo[45-b][14]dithiine) dichloromethane solvate sesquihydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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