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RESEARCH PRODUCT
1H and13C NMR spectroscopy of brominated diphenyl ethers. A multiple linear regression analysis
Erkki KolehmainenJuha KnuutinenJiwei Husubject
Coupling constantBromineChemical shiftSubstituentAnalytical chemistrychemistry.chemical_elementGeneral ChemistryNuclear magnetic resonance spectroscopyCarbon-13 NMRchemistry.chemical_compoundchemistryComputational chemistryProton NMRGeneral Materials ScienceMultiple linear regression analysisdescription
The 1H and 13C NMR chemical shifts and 1H, 1H coupling constants of 27 brominated diphenyl ethers are reported. The increment models for the bromine substituent effects on the 1H and 13C NMR chemical shifts were constructed based on a multiple linear regression analysis. In addition to the single substituent effects, two particle increments and corrective terms for conformational effects are included in these models in order to obtain a reliable prediction of chemical shifts. Copyright © 2000 John Wiley & Sons, Ltd.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2000-01-01 | Magnetic Resonance in Chemistry |