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Direct Assessment of Electron Delocalization Using NMR Chemical Shifts
Author(s) -
Steinmann Stephan N.,
Jana Daniel F.,
Wu Judy I.C.,
Schleyer Paul von R.,
Mo Yirong,
Corminboeuf Clémence
Publication year - 2009
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200905390
Subject(s) - electron delocalization , delocalized electron , conjugated system , chemical shift , molecule , chemistry , nuclear magnetic resonance spectroscopy , hydrogen bond , spectroscopy , computational chemistry , ideal (ethics) , chemical physics , nuclear magnetic resonance , crystallography , stereochemistry , polymer , physics , organic chemistry , quantum mechanics , philosophy , epistemology
Probe it : The new BLW‐IGLO approach evaluates the magnetic responses of molecules in which conjugative interactions are “disabled” (see picture, red bonds). The NMR spectroscopy parameters of the localized structures provide ideal non‐aromatic olefinic hydrogen δ ( 1 H) references for the fully conjugated systems.