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Substituent effects on 13 C and 1 H chemical shifts in 2‐isopropyl‐ and 2,6‐diisopropylnaphthalene and their oxidation products
Author(s) -
Mazurkiewicz Roman,
Stec Zbigniew,
Zawadiak Jan
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/(sici)1097-458x(200003)38:3<213::aid-mrc617>3.0.co;2-g
Subject(s) - chemistry , substituent , isopropyl , chemical shift , decoupling (probability) , proton , additive function , proton nmr , carbon 13 nmr , stereochemistry , medicinal chemistry , mathematical analysis , physics , mathematics , quantum mechanics , control engineering , engineering
13 C and 1 H spectral assignments were made for three 2‐substituted‐ and six 2,6‐disubstituted naphthalenes with isopropyl, 2‐hydroxy‐2‐methylethyl and 2‐hydroperoxy‐2‐methylethyl substituents by the use of proton–proton decoupling, 2D H,H‐COSY and 2D‐C,H‐COSY techniques. The downhill simplex method was used for calculations of the best set of 13 C and 1 H incremental shifts. An excellent additivity of substituent effects was found for both, the 13 C and 1 H spectra of 2,6‐disubstituted naphthalenes. Copyright © 2000 John Wiley & Sons, Ltd.