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Unresolvable long range spin–spin coupling as a source of systematic error in proton NMR total bandshape analysis
Author(s) -
Drakenberg Torbjörn,
Carter Robert E.
Publication year - 1975
Publication title -
organic magnetic resonance
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0030-4921
DOI - 10.1002/mrc.1270070702
Subject(s) - range (aeronautics) , spin (aerodynamics) , systematic error , coupling (piping) , proton nmr , proton , physics , nuclear magnetic resonance , analytical chemistry (journal) , chemistry , materials science , quantum mechanics , mathematics , thermodynamics , statistics , chromatography , metallurgy , composite material
Unresolvable long range spin‐spin coupling which is not explicitly taken into account in total NMR bandshape analysis is demonstrated to be a potentially important source of systematic error, leading to Δ H ≠ and δ S ≠ values incorrect by c . 1 kcal/mol and 2 to 4 cal/(mol K), respectively.