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NMR spectral assignment of substituted salicylaldoximes by inverse pulse techniques with z ‐gradient selection: correlation of NMR parameters with substituent constants
Author(s) -
Kolehmainen Erkki,
Gawinecki Ryszard,
Ośmiałowski Borys,
Trzebiatowska Katarzyna
Publication year - 1997
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/(sici)1097-458x(199711)35:11<778::aid-omr174>3.0.co;2-j
Subject(s) - chemistry , substituent , intramolecular force , chemical shift , coupling constant , hydrogen bond , carbon 13 nmr , molecule , proton nmr , nitrogen atom , computational chemistry , crystallography , nuclear magnetic resonance , stereochemistry , group (periodic table) , organic chemistry , physics , particle physics
1 H and 13 C and also 1 H, 13 C HMQC and 1 H,X HMBC (X= 13 C and 15 N) correlation maps with z ‐gradient selection of seven salicylaldoximes were recorded and assigned and their parameters are discussed. The chemical shifts of H2, NO H , C7 and especially those of 15 N OH correlate well with the Hammett and/or Brown–Okamoto substituent constants. Also the coupling constants 1 J (C3,H3) and 1 J (C7,H7) are linearly dependent on σ + . High correlation coefficients show the presence of the 2‐OH group to force the molecules of salicylaldoximes to be planar or almost planar as a result of the intramolecular hydrogen bonding between its hydrogen and oximine nitrogen atom. © 1997 John Wiley & Sons, Ltd.