Search results for "4-Benzoquinone"

showing 8 items of 18 documents

CCDC 1032220: Experimental Crystal Structure Determination

2015

Related Article: Samia Benmansour, Cristina Vallés-García, Patricia Gómez-Claramunt, Guillermo Mínguez Espallargas, Carlos J. Gómez-García|2015|Inorg.Chem.|54|5410|doi:10.1021/acs.inorgchem.5b00451

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-(bis(Tri-n-butyl(methyl)ammonium) tris(mu2-36-dibromo-25-dioxy-14-benzoquinone)-di-chromium)Experimental 3D Coordinates
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CCDC 1491091: Experimental Crystal Structure Determination

2017

Related Article: Mario Palacios-Corella, Alejandro Fernández-Espejo, Montse Bazaga-García, Enrique R. Losilla, Aurelio Cabeza, Miguel Clemente-León, Eugenio Coronado|2017|Inorg.Chem.|56|13865|doi:10.1021/acs.inorgchem.7b01965

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-(di-isopropyl(ethyl)ammonium tris(mu-25-dibromo-36-dioxy-14-benzoquinone)-chromium-manganese chloroform solvate monohydrate)Experimental 3D Coordinates
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CCDC 953846: Experimental Crystal Structure Determination

2013

Related Article: Matteo Atzori, Samia Benmansour, Guillermo Mínguez Espallargas, Miguel Clemente-León, Alexandre Abhervé, Patricia Gómez-Claramunt, Eugenio Coronado, Flavia Artizzu, Elisa Sessini, Paola Deplano, Angela Serpe, Maria Laura Mercuri, and Carlos J. Gómez García|2013|Inorg.Chem.|52|10031|doi:10.1021/ic4013284

Space GroupCrystallographyCrystal SystemCrystal Structurecatena-(Oxonium tris(mu~2~-25-dichloro-36-dioxy-14-benzoquinone)-aqua-chromium-manganese tris(phenazine))Cell ParametersExperimental 3D Coordinates
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CCDC 953848: Experimental Crystal Structure Determination

2013

Related Article: Matteo Atzori, Samia Benmansour, Guillermo Mínguez Espallargas, Miguel Clemente-León, Alexandre Abhervé, Patricia Gómez-Claramunt, Eugenio Coronado, Flavia Artizzu, Elisa Sessini, Paola Deplano, Angela Serpe, Maria Laura Mercuri, and Carlos J. Gómez García|2013|Inorg.Chem.|52|10031|doi:10.1021/ic4013284

Space GroupCrystallographyCrystal Systemcatena-(Oxonium tris(mu~2~-25-dibromo-36-dioxy-14-benzoquinone)-aqua-di-manganese tris(phenazine) monohydrate)Crystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1032219: Experimental Crystal Structure Determination

2015

Related Article: Samia Benmansour, Cristina Vallés-García, Patricia Gómez-Claramunt, Guillermo Mínguez Espallargas, Carlos J. Gómez-García|2015|Inorg.Chem.|54|5410|doi:10.1021/acs.inorgchem.5b00451

Space GroupCrystallographyCrystal Systemcatena-(Triethyl(methyl)ammonium bis(mu4-36-dichloro-25-dioxy-14-benzoquinone)-(mu3-36-dichloro-25-dioxy-14-benzoquinone)-dimethylformamide-iron-di-sodium)Crystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1032217: Experimental Crystal Structure Determination

2015

Related Article: Samia Benmansour, Cristina Vallés-García, Patricia Gómez-Claramunt, Guillermo Mínguez Espallargas, Carlos J. Gómez-García|2015|Inorg.Chem.|54|5410|doi:10.1021/acs.inorgchem.5b00451

Space GroupCrystallographycatena-(bis(Tri-n-butyl(methyl)phosphonium) tris(mu2-36-dibromo-25-dioxy-14-benzoquinone)-chromium-sodium)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1054374: Experimental Crystal Structure Determination

2015

Related Article: Alexandre Abhervé, Samuel Mañas-Valero, Miguel Clemente-León, Eugenio Coronado|2015|Chemical Science|6|4665|doi:10.1039/C5SC00957J

catena-((415-Dimethyl-581114-tetra-azaoctadeca-241416-tetraene-217-diolato)-gallium(iii) tris(mu2-36-dibromo-25-dioxy-14-benzoquinone)-chromium(iii)-manganese(ii) acetonitrile solvate)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Understanding the stereo- and regioselectivities of the polar Diels-Alder reactions between 2-acetyl-1,4-benzoquinone and methyl substituted 1,3-buta…

2009

The polar Diels–Alder (DA) reactions of 2-acetyl-1,4-benzoquinone (acBQ) with methyl substituted 1,3-butadienes have been studied using DFT methods at the B3LYP/6-31G(d) level of theory. These reactions are characterized by a nucleophilic attack of the unsubstituted ends of the 1,3-dienes to the β conjugated position of the acBQ followed by ring-closure. The reactions present a total regioselectivity and large endo selectivity. The analysis based on the global electrophilicity of the reagents at the ground state, and the natural bond orbital (NBO) population analysis at the transition states correctly explain the polar nature of these cycloadditions. The large electrophilic character of acB…

education.field_of_studyStereochemistryChemistryOrganic ChemistryPopulationRegioselectivityMedicinal chemistryTransition state14-Benzoquinonechemistry.chemical_compoundNucleophileElectrophilePhysical and Theoretical ChemistrySelectivityeducationNatural bond orbitalJournal of Physical Organic Chemistry
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