NMR spectroscopic conformational analysis of 4-methylene-cyclohexyl pivalateThe effect of sp2 hybridization

被引：0

作者：

Kleinpeter, Erich ^{[1
]}

Heydenreich, Matthias ^{[1
]}

Koch, Andreas ^{[1
]}

Krtitschka, Angela ^{[1
]}

Krueger, Tobias ^{[1
]}

Linker, Torsten ^{[1
]}

机构：

[1] Univ Potsdam, Inst Chem, Karl Liebknecht Str 24-25, D-14476 Potsdam, Golm, Germany

来源：

MAGNETIC RESONANCE IN CHEMISTRY | 2017年 / 55卷 / 12期

关键词：

4-methylene-cyclohexyl pivalate; conformational analysis; dynamic NMR spectroscopy; exo-methylene conformational effect at cyclohexane; quantum chemical calculations; CYCLOHEXANES; ESTERS;

D O I：

10.1002/mrc.4630

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页码：1073 / 1078

页数：6

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