1H-NMR一级谱多重峰分析的经典综述

仪器资料 · 发表于 2017-7-3 09:12:16

1H-NMR一级谱多重峰分析的经典综述

The ability to deduce the proper set of coupling constant (J) values from a complex first-order
multiplet in a IH 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 usefid 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, Le., 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 Js through visual pattern recognition. These approaches are effective strategies for extraction
of coupling constant values from even the most complex first-order multiplets.