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Correlation of resonances of strongly coupled spin systems via responses due to strong coupling in homonuclear two‐dimensional j‐resolved spectra: Total assignment of the 1 H‐NMR spectrum of 2‐(2′‐pyridyl)‐1,8‐naphthyridine
Author(s) -
Ezell Edward L.,
Thummel Randolph P.,
Martin Gary E.
Publication year - 1984
Publication title -
journal of heterocyclic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.321
H-Index - 59
eISSN - 1943-5193
pISSN - 0022-152X
DOI - 10.1002/jhet.5570210336
Subject(s) - homonuclear molecule , chemistry , spectral line , spin (aerodynamics) , coupling (piping) , nmr spectra database , coupling constant , molecule , pulse sequence , nuclear magnetic resonance , nuclear magnetic resonance spectroscopy , molecular physics , atomic physics , quantum mechanics , physics , stereochemistry , thermodynamics , mechanical engineering , organic chemistry , engineering
Homonuclear two‐dimensional J‐resolved (2DJ) spectra of molecules containing strongly coupled spin systems contain additional responses and thus additional information, the responses arising from the mixing effects of the 180° pulse employed to create the spin echo upon which the experiment is based. Although additional responses due to strong coupling are generally considered to be an undesirable complication inherent to the experiment, it is shown that they can serve a useful correlation function. Total assignment of the 1 H‐nmr spectrum of 2‐(2′‐pyridyl)‐1,8‐naphthyridine at 100 MHz is reported, and members of the three strongly coupled spin systems of the molecule are identified via the additional responses due to strong coupling.