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

被引：7

作者：

JETTON, RE

NANNEY, JR

MAHAFFY, CAL

机构：

[1] AUBURN UNIV,DEPT CHEM,MONTGOMERY,AL 36117

[2] AUBURN UNIV,DEPT MATH,MONTGOMERY,AL 36117

来源：

JOURNAL OF FLUORINE CHEMISTRY | 1995年 / 72卷 / 01期

关键词：

NMR SIGNAL POSITIONS; FLUOROALKENES; STATISTICAL METHODS; STATISTICAL SUBSTITUENT CHEMICAL SHIFT VALUES;

D O I：

10.1016/0022-1139(94)03188-6

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

F-19 NMR data for fluoroalkenes have been analyzed by the use of statistical substituent chemical shift (SSCS) values and SSCS values in combination with interaction factors. The correlation coefficient of observed 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-interaction factors.

引用

页码：121 / 133

页数：13

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