Solvents effects on the proton chemical shift and H—H, H—F coupling constants in 1-chloro-1-fluoroethylene. Reaction field and dispersion interactions
نویسندگان
چکیده
منابع مشابه
Relativistic force field: parametric computations of proton-proton coupling constants in (1)H NMR spectra.
Spin-spin coupling constants in (1)H NMR carry a wealth of structural information and offer a powerful tool for deciphering molecular structures. However, accurate ab initio or DFT calculations of spin-spin coupling constants have been very challenging and expensive. Scaling of (easy) Fermi contacts, fc, especially in the context of recent findings by Bally and Rablen (Bally, T.; Rablen, P. R. ...
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Proton NMR chemical shifts and coupling constants for brain metabolites.
Proton NMR chemical shift and J-coupling values are presented for 35 metabolites that can be detected by in vivo or in vitro NMR studies of mammalian brain. Measurements were obtained using high-field NMR spectra of metabolites in solution, under conditions typical for normal physiological temperature and pH. This information is presented with an accuracy that is suitable for computer simulatio...
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ژورنال
عنوان ژورنال: Canadian Journal of Chemistry
سال: 1967
ISSN: 0008-4042,1480-3291
DOI: 10.1139/v67-188