Scalar coupling across the hydrogen bond in 1,3-and 1,4-diols

被引：38

作者：

Fierman, M

Nelson, A

Khan, SI

Barfield, M

O'Leary, DJ

机构：

[1] Pomona Coll, Dept Chem, Claremont, CA 91711 USA

[2] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90024 USA

[3] Univ Arizona, Dept Chem, Tucson, AZ 85721 USA

来源：

ORGANIC LETTERS | 2000年 / 2卷 / 14期

关键词：

D O I：

10.1021/ol0060679

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

GRAPHICS Scalar coupling between hydroxyl groups sharing a 1,4- or 1,3-intramolecular hydrogen bond can be readily detected using standard 2D NMR techniques. Analyses of isotopically perturbed 2D J-resolved spectra have revealed (h2)J to be on the order of 0.3 Hr in systems such as diols 2 and 3. A standard 2D COSY experiment, modified to detect small coupling constants, is shown to be a convenient method for detecting (h2)J in these systems. Couplings derived from density functional finite perturbation theory (DFT/FPT) are found to be in general agreement with experimental data.

引用

页码：2077 / 2080

页数：4