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1 H, 13 C and 15 N NMR and GIAO CPHF calculations on two quinoacridinium salts
Author(s) -
JaroszewskaManaj Jolanta,
Maciejewska Dorota,
Wawer Iwona
Publication year - 2000
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 - 10.1002/1097-458x(200006)38:6<482::aid-mrc677>3.0.co;2-p
Subject(s) - chemistry , carbon 13 nmr , methyl iodide , heteronuclear single quantum coherence spectroscopy , chemical shift , iodide , computational chemistry , ab initio , nuclear magnetic resonance spectroscopy , organic chemistry
The complete 1 H, 13 C and 15 N NMR assignments of two closely related quinoacridinium salts, 8,13‐diethyl‐6‐methyl‐8 H ‐quino[4,3,2‐ kl ]acridinium iodide and, 8,13‐diethyl‐3,6,11‐trimethyl‐8 H ‐quino[4,3,2‐ kl ]acridinium iodide, are described. The multinuclear 1D NMR and 2D shift‐correlated NMR techniques HMQC, HSQC and HMBC were applied, accompanied by ab initio GIAO CPHF calculations of shielding constants. Copyright © 2000 John Wiley & Sons, Ltd.