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Quantitative determination of aliphatic hydrocarbon compounds by 2D NMR
Author(s) -
Koskela H.,
Väänänen T.
Publication year - 2002
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1085
Subject(s) - chemistry , pulse sequence , heteronuclear molecule , squalane , nuclear magnetic resonance spectroscopy , analytical chemistry (journal) , two dimensional nuclear magnetic resonance spectroscopy , nmr spectra database , tetradecane , hydrocarbon mixtures , hydrocarbon , spectral line , nuclear magnetic resonance , chromatography , stereochemistry , organic chemistry , physics , astronomy
Quantitative analysis of complex mixtures by NMR is often hampered by heavily overlapping signals in 1D 1 H or 13 C spectra. To resolve the overlap problem, we have been looking at the possibilities of using heteronuclear correlated 2D NMR methods for quantification. In this work, we applied 2D INEPT to analyze mixtures of tetradecane and squalane, which represent typical substructures of lube oil fractions. The factors affecting correlation peak volumes, namely the polarization transfer delays within pulse sequence, multiplicity of CH n group and the magnitude of 1 J (C, H) couplings were taken into account by product operator formalism calculations. The results indicate that if absolute precision in quantification is not essential, the current approach can be used for the quantitative analysis of the molecular composition of complex mixtures when conventional 1D NMR methods fail. Copyright © 2002 John Wiley & Sons, Ltd.