THE PREDICTION OF THE F-19 NMR SIGNAL POSITIONS OF FLUOROALKENES USING STATISTICAL-METHODS

Authors
JETTON RE NANNEY JR MAHAFFY CAL
Citation
Re. Jetton et al., THE PREDICTION OF THE F-19 NMR SIGNAL POSITIONS OF FLUOROALKENES USING STATISTICAL-METHODS, Journal of fluorine chemistry, 72(1), 1995, pp. 121-133
Citations number
16
Categorie Soggetti
Chemistry Inorganic & Nuclear","Chemistry Inorganic & Nuclear
Journal title
Journal of fluorine chemistry → ACNP
ISSN journal
00221139
Volume
72
Issue
1
Year of publication
1995
Pages
121 - 133
Database
ISI
SICI code
0022-1139(1995)72:1<121:TPOTFN>2.0.ZU;2-M
Abstract
F-19 NMR data for fluoroalkenes have been analyzed by the use of stati stical substituent chemical shift (SSCS) values and SSCS values in com bination with interaction factors. The correlation coefficient of obse rved versus predicted signal position when SSCS values alone are used is r=0.960 with a standard deviation s=10.0 ppm, whereas r=0.997 and s =2.8 ppm when SSCS values are used together with 2,3-, 2,4- and 3,4-in teraction factors.