Search results for "2-Butene"

showing 4 items of 4 documents

On the photoreaction of some 1,2,4-oxadiazoles in the presence of2,3-dimethyl-2-butene. Synthesis of N-imidoyl-aziridines

2007

Fhe photochemistry of some 3,5-disubstituted 1,2,4-oxadiazoles in the presence of 2,3-dimethyl-2-butene has been investigated. The irradiation in acetonitrile yielded differently substituted N-imidoyl-aziridines through an aziridination reaction involving an acyliminonitrene intermediate. Pyrolysis of N-imidoyl-aziridines produced the corresponding N-allylamidines through a ring opening process.

PharmacologyphotochemistryOrganic Chemistry124-oxadiazoleGeneral MedicineRing (chemistry)Photochemistrypyrolysi2-ButeneAnalytical Chemistrychemistry.chemical_compoundN-allylamidinechemistryScientific methodOrganic chemistryIrradiationAcetonitrilePyrolysisN-imidoylaziridine
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CCDC 170315: Experimental Crystal Structure Determination

2001

Related Article: A.Abad, C.Agullo, A.C.Cunat, I.Navarro, C.Ramirez de Arellano|2001|Acta Crystallogr.,Sect.E:Struct.Rep.Online|57|o553|doi:10.1107/S1600536801008510

Space GroupCrystallographyCrystal SystemDimethyl(Z)-((8aS2R4aR4bR)-8a-methoxycarbonyl-14a7-trimethyl-8-oxo-2344a4b588a910-decahydro-phenanthren-2-yl)-2-butenedioateCrystal StructureCell ParametersExperimental 3D Coordinates
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Switch in Relative Stability between cis and trans 2-Butene on Pt(111) as a Function of Experimental Conditions: A Density Functional Theory Study

2018

International audience; The adsorption of cis and trans 2-butenes on Pt(111) has been studied as a function of hydrogen coverage OH by means of calculations based on density functional theory (DFT) with the inclusion of dispersion forces. All hydrogen coverages have been considered, from 0 to 1.00 monolayer (ML). For each case, the di-sigma and pi adsorption geometries of the olefins have been compared at a surface coverage of theta(C4H8) = 0.11 ML. Calculations of the Gibbs free energies of these systems have identified the most stable 2-butene isomer (cis or trans) as a function of coverage, temperature, and pressure. In particular, focus was placed on two sets of conditions, namely, one …

ab-initioMaterials scienceHydrogenmolecular-dynamicschemistry.chemical_element010402 general chemistryenergy recoil scattering7. Clean energy01 natural sciencesDFTCatalysischemistry.chemical_compoundsymbols.namesakecis-trans isomerizationAdsorptionPt(111)Monolayersingle-crystal surfaces[CHIM]Chemical Sciences[PHYS]Physics [physics]1st-principles calculationsethylene hydrogenation010405 organic chemistrymetal-surfacesheterogeneous catalystsGeneral ChemistryAtmospheric temperature range2-Butenefree energyhydrogenation catalysisCis trans isomerization0104 chemical sciencesGibbs free energyH coveragechemistry13. Climate actionadsorptionsymbolsPhysical chemistryDensity functional theory2-butenesolid-surfacestemperature diagram
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DFT Theoretical Study on the Reaction Mechanism of the Nitrate Radical with Alkenes:  2-Butene, Isobutene, 2-Methyl-2-butene, and 2,3-Dimethyl-2-bute…

2000

A general mechanism for the reactions of the NO3 radical with 2-butene, isobutene, 2-methyl-2-butene, and 2,3-dimethyl-2-butene is proposed on the basis of density functional theory (DFT) calculati...

chemistry.chemical_compoundReaction mechanismchemistryNitrate2-Methyl-2-buteneDensity functional theoryPhysical and Theoretical ChemistryPhotochemistry2-ButeneThe Journal of Physical Chemistry A
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