NMR spectroscopic conformational analysis of 4‐methylene‐cyclohexyl pivalate—The effect of sp 2  hybridization | Zendy

Kleinpeter Erich | Zendy; Heydenreich Matthias | Zendy; Koch Andreas | Zendy; Krtitschka Angela | Zendy; Krüger Tobias | Zendy; Linker Torsten | Zendy

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NMR spectroscopic conformational analysis of 4‐methylene‐cyclohexyl pivalate—The effect of sp 2 hybridization

Author(s) -

Kleinpeter Erich,

Heydenreich Matthias,

Koch Andreas,

Krtitschka Angela,

Krüger Tobias,

Linker Torsten

Publication year - 2017

Publication title -

magnetic resonance in chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.483

H-Index - 72

eISSN - 1097-458X

pISSN - 0749-1581

DOI - 10.1002/mrc.4630

Subject(s) - chemistry , methylene , conformational isomerism , moiety , nuclear magnetic resonance spectroscopy , ring (chemistry) , spectroscopy , stereochemistry , crystallography , dynamic equilibrium , molecule , medicinal chemistry , organic chemistry , physics , quantum mechanics

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 153 K, the ring interconversion gets slow on the nuclear magnetic resonance timescale, the conformational equilibrium (−ΔG°) can be examined, and the barrier to ring interconversion (ΔG # ) can be determined. The structural influence of sp 2 hybridization on both ΔG° and ΔG # of the cyclohexyl moiety can be quantified.

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