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Application of 2D NMR spectroscopy to the complete analysis of the 1 H NMR spectra of 1‐ and 3‐nitrobenzo[ e ]pyrene
Author(s) -
Sydnes Leiv K.,
Skjetne Tore
Publication year - 1986
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.1260240410
Subject(s) - chemistry , pyrene , two dimensional nuclear magnetic resonance spectroscopy , nmr spectra database , nuclear overhauser effect , spectral line , nuclear magnetic resonance spectroscopy , proton nmr , range (aeronautics) , coupling constant , spectroscopy , analytical chemistry (journal) , stereochemistry , organic chemistry , physics , materials science , particle physics , quantum mechanics , astronomy , composite material
COSY and NOESY spectra (400 MHz) have been used to complete the assignment of the 1 H NMR spectra of 1‐ and 3‐nitrobenzo[ e ]pyrene. Both compounds show strong bay region nuclear Overhauser enhancement and significant coupling across bay regions. Both compounds also exhibit extensive long‐range couplings. For 1‐nitrobenzo[ e ]pyrene the most spectacular couplings are between H‐4 and H‐6 and between H‐4 and H‐8. The most unusual long‐range couplings in 3‐nitrobenzo[ e ]pyrene are between H‐1 and H‐5, H‐2 and H‐7 and H‐4 and H‐8. Simulation of the spectra reveals that all short‐range coupling constants are normal, and confirms the presence of the long‐range couplings.