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Molecular structure determinations of BF 3 ‐tetralone complexes by NMR spectroscopy
Author(s) -
Torri J.
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.1260240402
Subject(s) - chemistry , delocalized electron , conjugated system , reactivity (psychology) , nuclear magnetic resonance spectroscopy , electron delocalization , spectroscopy , computational chemistry , resonance (particle physics) , carbon 13 nmr , tetralones , crystallography , stereochemistry , photochemistry , organic chemistry , medicine , particle physics , polymer , physics , alternative medicine , pathology , quantum mechanics
The 13 C NMR shielding effects of the carbonyl‐BF 3 interaction for a series of methyl‐ and methoxy‐tetralones were determined. Once the conformations of the complexes have been defined, the major shift data which can be related to charge density changes can be qualitatively discussed in terms of the transmission of the electronic properties of the CO:BF 3 group. Complexation mainly causes a reorganization of the conjugated π‐system via a resonance mechanism. Delocalization of the π‐electrons towards the BF 3 electron‐withdrawing group increases the carbonyl reactivity of the base, while complex stability is favoured.