The spin delocalization substitutent parameter σJJ. 5. Correlation analysis of 19F chemical shifts of substituted trifluorostyrenes. The unresolved polar substituent parameter σmb
Corresponding Author
Guo-Zhen Ji
Shanghai Institute of Organic Chemistry, Academia Sinica, 345 Ling Lu, Shanghai 200032, China
Shanghai Institute of Organic Chemistry, Academia Sinica, 345 Ling Lu, Shanghai 200032, China===Search for more papers by this authorCorresponding Author
Xi-Kui Jiang
Shanghai Institute of Organic Chemistry, Academia Sinica, 345 Ling Lu, Shanghai 200032, China
Shanghai Institute of Organic Chemistry, Academia Sinica, 345 Ling Lu, Shanghai 200032, China===Search for more papers by this authorYu-Huang Zhang
Shanghai Institute of Organic Chemistry, Academia Sinica, 345 Ling Lu, Shanghai 200032, China
Search for more papers by this authorShen-Gan Yuan
Shanghai Institute of Organic Chemistry, Academia Sinica, 345 Ling Lu, Shanghai 200032, China
Search for more papers by this authorChong-Xi Yu
Shanghai Institute of Organic Chemistry, Academia Sinica, 345 Ling Lu, Shanghai 200032, China
Search for more papers by this authorYi-Qun Shi
Shanghai Institute of Organic Chemistry, Academia Sinica, 345 Ling Lu, Shanghai 200032, China
Search for more papers by this authorXiu-Lian Zhang
Shanghai Institute of Organic Chemistry, Academia Sinica, 345 Ling Lu, Shanghai 200032, China
Search for more papers by this authorWen-Ting Shi
Shanghai Institute of Organic Chemistry, Academia Sinica, 345 Ling Lu, Shanghai 200032, China
Search for more papers by this authorCorresponding Author
Guo-Zhen Ji
Shanghai Institute of Organic Chemistry, Academia Sinica, 345 Ling Lu, Shanghai 200032, China
Shanghai Institute of Organic Chemistry, Academia Sinica, 345 Ling Lu, Shanghai 200032, China===Search for more papers by this authorCorresponding Author
Xi-Kui Jiang
Shanghai Institute of Organic Chemistry, Academia Sinica, 345 Ling Lu, Shanghai 200032, China
Shanghai Institute of Organic Chemistry, Academia Sinica, 345 Ling Lu, Shanghai 200032, China===Search for more papers by this authorYu-Huang Zhang
Shanghai Institute of Organic Chemistry, Academia Sinica, 345 Ling Lu, Shanghai 200032, China
Search for more papers by this authorShen-Gan Yuan
Shanghai Institute of Organic Chemistry, Academia Sinica, 345 Ling Lu, Shanghai 200032, China
Search for more papers by this authorChong-Xi Yu
Shanghai Institute of Organic Chemistry, Academia Sinica, 345 Ling Lu, Shanghai 200032, China
Search for more papers by this authorYi-Qun Shi
Shanghai Institute of Organic Chemistry, Academia Sinica, 345 Ling Lu, Shanghai 200032, China
Search for more papers by this authorXiu-Lian Zhang
Shanghai Institute of Organic Chemistry, Academia Sinica, 345 Ling Lu, Shanghai 200032, China
Search for more papers by this authorWen-Ting Shi
Shanghai Institute of Organic Chemistry, Academia Sinica, 345 Ling Lu, Shanghai 200032, China
Search for more papers by this authorAbstract
The 19F NMR spectra of 30 substituted α,β,β-trifluorostyrenes (Y-TFSs, 1) covering a diverse range of substituents are reported and discussed. Values (δF1, δF2, Δδ3 − 1 and Δδ3 − 2) derived from the 19F NMR chemical shifts of the fluorine atoms of 1 are found to correlate very well with σI and σ
. The results of the correlations of the 19F chemical shifts with dual (σF and σR) and triple parameter (σF, σR and σα) treatments are compared. An unresolved substituent parameter σmb, is proposed for applications to systems in which the substitutent Y interacts with a multiple bond and is compared with σ+.
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