A molecular electron density theory study for [3+2] cycloaddition reactions of <i>N</i>-benzylcyclohexylnitrone with methyl-3-butenoate
Haydar Mohammad‐Salim, Huda A. Basheer, Hassan H. Abdallah, Abdellah Zeroual, Lazgin A. Jamil
Abstract
The [3+2] cycloaddition (32CA) reactions of <italic>N</italic>-benzylcyclohexylnitrone <bold>1</bold> with methyl-3-butenoate <bold>2</bold> have been studied within molecular electron density theory (MEDT) at the B3LYP/6-311++G(d,p) level of theory.
Topics & Concepts
ChemistryCycloadditionComputational chemistryElectronElectron densityDensity functional theoryOrganic chemistryCatalysisQuantum mechanicsPhysicsOrganic Chemistry Cycloaddition ReactionsAdvanced Chemical Physics StudiesFree Radicals and Antioxidants