A PRACTICAL GUIDE TO FIRST-ORDER MULTIPLET ANALYSIS IN H-1-NMR SPECTROSCOPY

被引:62
作者
HOYE, TR
HANSON, PR
VYVYAN, JR
机构
[1] Department of Chemistry, University of Minnesota, Minneapolis
关键词
D O I
10.1021/jo00094a018
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
The ability to deduce the proper set of coupling constant (J) values from a complex first order multiplet in a H-1 NMR spectrum is an extremely important asset. This is particularly valuable to the task of assigning relative configurations among two or more stereocenters in a molecule. Most books and treatises that deal with coupling constant analysis address the less useful operation of generating splitting trees to create the line pattern from a given set of J values. Presented here are general and systematic protocols for the converse, i.e., for deducing the complete set of J values from the multiplet. Two analytical methods (A, systematic analysis of line spacings, and B, construction of what can be called inverted splitting trees) are presented first. A reasonably thorough and systematic set of graphical representations of common doublet of doublets (dd's), ddd's, and dddd's are then presented. These constitute a complementary method for identification of J's through visual pattern recognition. These approaches are effective strategies for extraction of coupling constant values from even the most complex first-order multiplets.
引用
收藏
页码:4096 / 4103
页数:8
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