NMR spectroscopic conformational analysis of 4-methylene-cyclohexyl pivalateThe effect of sp(2) hybridization
- 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.
Author details: | Erich KleinpeterORCiDGND, Matthias HeydenreichORCiD, Andreas KochORCiDGND, Angela Krtitschka, Tobias KrügerORCiDGND, Torsten LinkerORCiDGND |
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DOI: | https://doi.org/10.1002/mrc.4630 |
ISSN: | 0749-1581 |
ISSN: | 1097-458X |
Pubmed ID: | https://pubmed.ncbi.nlm.nih.gov/28665001 |
Title of parent work (English): | Magnetic resonance in chemistry |
Publisher: | Wiley |
Place of publishing: | Hoboken |
Publication type: | Article |
Language: | English |
Year of first publication: | 2017 |
Publication year: | 2017 |
Release date: | 2020/04/20 |
Tag: | 4-methylene-cyclohexyl pivalate; conformational analysis; dynamic NMR spectroscopy; exo-methylene conformational effect at cyclohexane; quantum chemical calculations |
Volume: | 55 |
Number of pages: | 6 |
First page: | 1073 |
Last Page: | 1078 |
Organizational units: | Mathematisch-Naturwissenschaftliche Fakultät / Institut für Chemie |
Peer review: | Referiert |