Search results for "propane"

showing 10 items of 486 documents

Theoretical study of the mechanism of branching rearrangement of carbenium ions

1996

Abstract Owing to the practical interest of the acid catalyzed isomerization reactions of hydrocarbons, the mechanism of the branching rearrangements of C 4 H 9 + and C 5 H 11 + carbenium ions has been studied theoretically using ab initio methods which include electron correlation and extended basis sets. It has been found that the protonated cyclopropane-type species does not appear as a common intermediate for these reactions, since it is a transition state and not a minimum on the potential energy surfaces studied. In the case of C 4 H 9 + cation, the protonated methyl-cyclopropane ring is the transition state for the carbon scrambling reaction in the secondary n-butyl cation, while the…

Reaction mechanismProcess Chemistry and TechnologyAb initioProtonationPhotochemistryCatalysisCyclopropaneIonCatalysischemistry.chemical_compoundAcid catalysisCrystallographychemistryIsomerizationApplied Catalysis A: General
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ChemInform Abstract: Chemical and Spectroscopical Properties of Medium Sized trans- and cis- Bicyclo(n.1.0)alk-2-ynes.

2010

Chemical and spectroscopical properties of cis- and trans-cyclopropano-anellated cycloalkynes of medium ring size are investigated and compared with results from force field calculations. IR and 13C-NMR data of the alkynes reflect the deformation of the triple bond due to ring strain. Parallel to bending the reactivity increases with decreasing ring size, the trans fused alkynes prove to be nearly as reactive as the cis fused with a two carbon smaller ring size. The bicycloalkynes are complexed with silver triflate. 13C NMR reveals that the triple bond as well as the cyclopropane serve as ligands.

Ring sizechemistry.chemical_compoundCrystallographyBicyclic moleculeStereochemistryChemistryReactivity (chemistry)General MedicineCarbon-13 NMRTriple bondTrifluoromethanesulfonateCyclopropaneRing strainChemInform
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CCDC 245912: Experimental Crystal Structure Determination

2006

Related Article: R.Frohlich, T.C.Rosen, O.G.J.Meyer, K.Rissanen, G.Haufe|2006|J.Mol.Struct.|787|50|doi:10.1016/j.molstruc.2005.10.033

Space GroupCrystallography(+-)-cis-2-Fluoro-2-(4-fluorophenyl)cyclopropanecarboxylic acidCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 245917: Experimental Crystal Structure Determination

2006

Related Article: R.Frohlich, T.C.Rosen, O.G.J.Meyer, K.Rissanen, G.Haufe|2006|J.Mol.Struct.|787|50|doi:10.1016/j.molstruc.2005.10.033

Space GroupCrystallography(+-)-cis-2-Fluoro-2-phenylcyclopropanecarboxylic acidCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 280354: Experimental Crystal Structure Determination

2006

Related Article: R.Frohlich, T.C.Rosen, O.G.J.Meyer, K.Rissanen, G.Haufe|2006|J.Mol.Struct.|787|50|doi:10.1016/j.molstruc.2005.10.033

Space GroupCrystallography(+-)-trans-1-Ammoniomethyl-2-fluoro-2-phenylcyclopropane chlorideCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 245908: Experimental Crystal Structure Determination

2006

Related Article: R.Frohlich, T.C.Rosen, O.G.J.Meyer, K.Rissanen, G.Haufe|2006|J.Mol.Struct.|787|50|doi:10.1016/j.molstruc.2005.10.033

Space GroupCrystallography(1R2S)-(-)-2-Fluoro-2-phenylcyclopropanecarboxamideCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 949948: Experimental Crystal Structure Determination

2013

Related Article: Adrian E. Ion, Simona Nica, Augustin M. Madalan, Catalin Maxim, Miguel Julve, Francesc Lloret, Marius Andruh|2014|CrystEngComm|16|319|doi:10.1039/C3CE41592A

Space GroupCrystallography(44'-Azulene-13-diyldipyridine)-(22'-(propane-13-diylbis(nitrilomethylylidene))bis(6-methoxyphenolato))-tris(nitrato)-europium(iii)-zinc(ii) monohydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1455020: Experimental Crystal Structure Determination

2016

Related Article: Maksym Seredyuk, Kateryna Znovjyak, M. Carmen Muñoz, Yurii Galyametdinov, Igor O. Fritsky, Jose A. Real|2016|RSC Advances|6|39627|doi:10.1039/C6RA05342D

Space GroupCrystallography(NN'-(22-dimethylpropane-13-diyl)bis(1-(3-butoxypyridin-2-yl)methanimine))-bis(isothiocyanato)-ironCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1455021: Experimental Crystal Structure Determination

2016

Related Article: Maksym Seredyuk, Kateryna Znovjyak, M. Carmen Muñoz, Yurii Galyametdinov, Igor O. Fritsky, Jose A. Real|2016|RSC Advances|6|39627|doi:10.1039/C6RA05342D

Space GroupCrystallography(NN'-(22-dimethylpropane-13-diyl)bis(1-(3-butoxypyridin-2-yl)methanimine))-bis(isothiocyanato)-ironCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 807882: Experimental Crystal Structure Determination

2011

Related Article: M.Seredyuk, A.B.Gaspar, J.Kusz, P.Gutlich|2011|Z.Anorg.Allg.Chem.|637|965|doi:10.1002/zaac.201100034

Space GroupCrystallography(NN'-bis((1H-imidazol-4-yl)methylene)-2-((((1H-imidazol-4-yl)methylene)amino)methyl)-2-methylpropane-13-diamine)-iron(ii) diperchlorate hemihydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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