Three methods, two empirical and one semiempirical, for predicting 13C chemical shifts in six plychloroheterocyclics are considered. It was found that the semi-empirical correlations with CNDO/2 calculated charges, although useful, could not be used in isolation from the other two methods. Of these,
13C NMR spectra of halocarbons
β Scribed by Anthony Foris
- Publisher
- John Wiley and Sons
- Year
- 2001
- Tongue
- English
- Weight
- 174 KB
- Volume
- 39
- Category
- Article
- ISSN
- 0749-1581
- DOI
- 10.1002/mrc.857
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β¦ Synopsis
Abstract
^13^C NMR chemical shifts and ^13^Cβ^19^F and ^13^Cβ^1^H coupling constants are reported for 103 halocarbons. Methods used for analyzing complex spectra (e.g. simultaneous ^1^H and ^19^F broadband decoupling, 2D INADEQUATE/FRED, HMQC, 35,37Cl isotope effects) are briefly illustrated. Longitudinal relaxation times for CF~3~CCl~2~CH~2~CHClF are reported. Copyright Β© 2001 John Wiley & Sons, Ltd.
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## Abstract ^13^CβNMR. spectra of pterin, xanthopterin, isoxanthopterin, leucopterin, lumazine and of the model compounds isocytosine and desaminoβisocytosine have been measured as anions and cations in 1 M NaOD, CF~3~COOH, H~2~SO~4~ and FSO~3~H solutions. The spectra were analysed by means of hete
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