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15 N NMR spectroscopy of 3‐substituted 5‐trichloromethyl‐1,2‐dimethyl‐1 H ‐pyrazolium chlorides
Author(s) -
Martins Marcos A. P.,
Pereira Claudio M. P.,
Sinhorin Adilson P.,
Rosa Adriano,
Zimmermann Nilo E. K.,
Bonacorso Helio G.,
Zanatta Nilo
Publication year - 2002
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.987
Subject(s) - chemistry , substituent , medicinal chemistry , aryl , chemical shift , nuclear magnetic resonance spectroscopy , alkyl , carbon 13 nmr , fluorine 19 nmr , stereochemistry , organic chemistry
15 N NMR data of a series of 3‐alkyl[aryl] substituted 5‐trichloromethyl‐1,2‐dimethyl‐1H‐pyrazolium chlorides (where the 3‐substituents are H, Me, Et, n ‐Pr, n ‐Bu, n ‐Pe, n ‐Hex, (CH 2 ) 5 CO 2 Et, CH 2 Br, Ph and 4‐Br‐C 6 H 4 ), are reported. The 15 N substituent chemical shifts (SCS) parameters are determined and these data are compared with the 13 C SCS values and data obtained by MO calculations. Copyright © 2002 John Wiley & Sons, Ltd.