| 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
|
| Holdings |
| Library |
Call Number |
Additional Info |
Location |
Last
Modified |
Checkout
Status |
| NTIS |
PB-287 159 |
Some EPA libraries have a fiche copy filed under the call number shown. |
|
07/26/2022 |
|
| Collation |
8p |
| Abstract |
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) |
