Using Perturbation and Frontier Molecular Orbital Theory To Predict Diastereofacial Selectivity

Torsional control of stereoselectivities in electrophilic additions and cycloadditions to alkenes

“…Dannenberg’s review in 1999 summarizes these models and concludes that it is difficult to come up with a general model for organic stereoselectivities. 20 The torsional model we review here is the dominant factor in many reactions, and contributes to most stereoselectivities, but sometimes in competition with steric and electrostatic factors. In this minireview, we describe theoretical investigations of many examples where torsional effects in transition states control stereoselectivities.…”

Orbitals in Chemistry

“…Other interpretations of facial selectivities have also been reviewed [174][175][176][177][178][179][180]. This asymmetry of the p orbitals, if it occurs along the trajectory of addition, is proposed to be generally involved in facial selection in sterically unbiased systems.…”

Chemoselective synthesis, spectral and computational studies of 2-amino-3-cyano-4-aryl-4H-chromen-7-yl alkyl carbonates

“…vibration occurs above 3000 cm -1 and is typically exhibited as a multiplicity of weak to moderate bands [26]. The benzene derivatives are the best recognized among the polyatomic systems as far as the vibrational spectra concerned [27,28]. The assignments of the benzene ring vibrations are comparatively simple because these vibrations are observed as very similar wave numbers in different compounds.…”