Abstract
A new computer program for the analysis of NMR spectra is reported. It adds iterative evaluation of input parameters to an earlier program (UEANMR II) which makes use of magnetic equivalence factoring to reduce the size of certain matrices. The present program, by iterating on line frequencies rather than energy levels, and by using magnetic equivalence factoring, offers advantages of speed and convenience over previously described computer programs for NMR analysis. The analysis of the proton spectrum of triisopropylphosphine is described as an example and the trend of 2 J H- P with increased alkyl substitution is found to be opposite to that of the trend of 2 J H- X for all other hetero-atoms, X, reported in the literature.
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