Record Display for the EPA National Library Catalog


Main Title Substituent Effects and Additivity in the Carbon-13 Nuclear Magnetic Resonance Spectra of Chlorinated Naphthalenes and Their Chlorinated Naphthol Metabolites.
Author Wilson, Nancy K. ; Zehr, Robert D. ;
CORP Author Health Effects Research Lab., Research Triangle Park, NC. Environmental Toxicology Div.
Year Published 1977
Report Number EPA/600/J-78/041;
Stock Number PB-287 159
Additional Subjects Nuclear magnetic resonance ; Chlorine organic compounds ; Carbon isotopes ; Proton magnetic resonance ; Chlorinated naphthalenes ; Carbon 13 ; Chemical shifts(Nuclear magnetic resonance) ; Reprints
Library Call Number Additional Info Location Last
NTIS  PB-287 159 Some EPA libraries have a fiche copy filed under the call number shown. 07/26/2022
Collation 8p
Carbon-13 and proton nuclear magnetic resonance spectra were obtained for 12 chlorinated naphthalenes and six chlorinated naphthols, some of which are metabolites of the naphthalenes. The validity of the use of additivity of chlorine and hydroxyl substituent effects to predict 13-C chemical shifts in these compounds was examined. Deviations from the additivity predictions resulted from per and ortho substituent interactions, both steric and hydrogen bonding. Despite these deviations, additive substituent parameters could be used to assign 13-C spectra correctly and to distinguish uniquely between similar isomers. (Portions of this document are not fully legible)