DIHEDRAL ANGLE AND BOND ANGLE DEPENDENCE OF VICINAL PROTON-FLUORINE SPIN-SPIN COUPLING

被引:132
作者
WILLIAMSON, KL
HSU, YFL
HALL, FH
SWAGER, S
COULTER, MS
机构
[1] Department of Chemistry, Mount Holyoke College, South Hadley
关键词
D O I
10.1021/ja01026a028
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
From an analysis of the nmr spectra of compounds of fixed and known stereochemistry the vicinal proton-fluorine coupling constant has been found to be a function of dihedral angle; the dependence is like vicinal JHH–a maximum at 0° (ca. 31 Hz), a minimum at 90° (ca. 0 Hz), and a maximum at 180° (ca. 44 Hz)–and not a linear dependence as has been reported. JHF.vic is extremely dependent on bond angle, being ca. 31 Hz for a bond angle near 109° and dropping to 0.9 Hz for a bond angle near 118° (dihedral angle fixed at 0°). Evidence is presented for a bond length dependence of JHF.vic. © 1968, American Chemical Society. All rights reserved.
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页码:6717 / +
页数:1
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