NMR spectroscopic conformational analysis of 4-methylene-cyclohexyl pivalateThe effect of sp(2) hybridization
MAGNETIC RESONANCE IN CHEMISTRY(2017)
Abstract
The conformational equilibrium of the axial/equatorial conformers of 4-methylene-cyclohexyl pivalate is studied by dynamic NMR spectroscopy in a methylene chloride/freon mixture. At 153K, the ring interconversion gets slow on the nuclear magnetic resonance timescale, the conformational equilibrium (-G degrees) can be examined, and the barrier to ring interconversion (G(#)) can be determined. The structural influence of sp(2) hybridization on both G degrees and G(#) of the cyclohexyl moiety can be quantified.
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Key words
4-methylene-cyclohexyl pivalate,conformational analysis,dynamic NMR spectroscopy,exo-methylene conformational effect at cyclohexane,quantum chemical calculations
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