Abstract
Pattern recognition is extremely important for both structure elucidation and stereochemical studies as a means for the measurement of spin-spin coupling constants. Many treatises deal with the formation of splitting trees to create a pattern for a given set of spin-spin coupling constants. We present here a general systematic procedure to easily analyze first order multiplets in NMR spectroscopy. This method has the advantage of measuring coupling constants while deconvolving the signals at the same time using an extension of the modified J doubling in the frequency domain.
Highlights
The analysis of complex multiplets is an important asset for chemists
In order to solve this problem, we proposed a new algorithm for simultaneous deconvolution of equal coupling constants.[16]
Modified J doubling can be used to measure both couplings at the same time and remove one by one
Summary
An awareness of the number of couplings present in a specific multiplet and their values is essential for proper NMR spectra interpretation. These data let us determine the number of neighbors interacting with a nucleus. High field NMR magnets have become common devices in most NMR laboratories. This new equipment allows many NMR signals to become first order and many overlapped ones to be resolved. We present an easy procedure to understand the pattern of complex NMR multiplets and, at the same time, accurately determine the value of spin-spin coupling constants
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