| 基团 |
间位取代 |
对位取代 |
参考文献
|
| -H |
0.00 |
0.00 |
c
|
| -B(OH)2 |
-0.01 |
0.12 |
c
|
| -B(OH)3- |
-0.48 |
-0.44 |
c
|
| -BF2 |
0.32 |
0.48 |
c
|
| -N2+ |
1.76 |
1.91 |
b
|
| -NH2 |
-0.16 |
-0.66 |
a
|
| -NHOH |
-0.04 |
-0.34 |
a
|
| -NO |
0.62 |
0.91 |
c
|
| -NO2 |
0.71 |
0.78 |
a
|
| -OH |
0.12 |
-0.37 |
a
|
| -F |
0.34 |
0.06 |
a
|
| -Cl |
0.37 |
0.23 |
a
|
| -Br |
0.39 |
0.23 |
a
|
| -I |
0.35 |
0.18 |
a
|
| -IF2 |
0.85 |
0.83 |
c
|
| -ICl2 |
1.10 |
1.11 |
c
|
| -SH |
0.25 |
0.15 |
b
|
| -SO3- |
0.05 |
0.09 |
b
|
| -SO2NH2 |
0.53 |
0.60 |
a
|
| -SO2Cl |
1.20 |
1.11 |
c
|
| -SCl |
0.44 |
0.48 |
c
|
| -PO(OH)2 |
0.36 |
0.42 |
a
|
| -P(CH3)3+ |
0.74 |
0.73 |
c
|
| -SiH3 |
0.05 |
0.10 |
c
|
| -SiCl3 |
0.48 |
0.56 |
c
|
| -SiBr3 |
0.48 |
0.57 |
c
|
| -GeCl3 |
0.71 |
0.79 |
c
|
| -GeBr3 |
0.66 |
0.73 |
c
|
| -HgF |
0.34 |
0.33 |
c
|
| -HgCl |
0.33 |
0.35 |
c
|
| 基团 |
间位取代 |
对位取代 |
参考文献
|
| -CH3 |
-0.07 |
-0.17 |
a
|
| -CF3 |
0.43 |
0.54 |
b
|
| -C6H5 |
0.06 |
0.06 |
a
|
| -C6F5 |
0.26 |
0.27 |
c
|
| -C6Cl5 |
0.25 |
0.24 |
c
|
| -C6H4-p-CH3 |
0.06 |
0.03 |
a
|
| -C6H5Cr(CO)3 |
0.29 |
0.14 |
c
|
| -CN |
0.56 |
0.66 |
b
|
| -C(O)CH3 |
0.38 |
0.50 |
b
|
| -C(O)CH2CH3 |
0.38 |
0.31 |
a
|
| -C(O)C6H5 |
0.343 |
0.429 |
[1]
|
| -NC |
0.48 |
0.49 |
c
|
| -NHCH3 |
|
-0.84 |
b
|
| -N(CH3)2 |
|
-0.83 |
b
|
| -N(CH3)3+ |
0.88 |
0.82 |
b
|
| -NHC(O)CH3 |
0.21 |
0.00 |
b
|
| -OCH3 |
0.12 |
-0.27 |
b
|
| -OCOCH3 |
0.39 |
0.31 |
b
|
| -SCN |
|
0.52 |
b
|
| -SCOCH3 |
0.39 |
0.44 |
b
|
| -SCH3 |
0.15 |
0.00 |
b
|
| -S(CH3)2+ |
1.00 |
0.90 |
b
|
| -SOCH3 |
0.52 |
0.49 |
b
|
| -SO2CH3 |
0.60 |
0.72 |
b
|
| -Si(C6H5)3 |
-0.03 |
0.10 |
c
|
| -Ge(C6H5)3 |
0.05 |
0.08 |
c
|
| -HgCN |
0.28 |
0.34 |
c
|
- ^ William White; Robert Schlitt; Donald Gwynn. Hammett Sigma Constants for m- and p- Benzoyl Groups. J. Org. Chem. 1961, 26, 9, 3613–3615. doi:10.1021/jo01067a669
- [a] Peter Ertl. A Web Tool for Calculating Substituent Descriptors Compatible with Hammett Sigma Constants. Chemistry-Methods. 2022. 2 (12). e202200041. doi:10.1002/cmtd.202200041.
- [b] Veejendra K. Yadav. Hammett Substituent Constants. In: Steric and Stereoelectronic Effects in Organic Chemistry. 2021. 179-189. doi:10.1007/978-3-030-75622-2_8.
- [c] Corwin. Hansch; A. Leo; R. W. Taft. A survey of Hammett substituent constants and resonance and field parameters. Chem. Rev. 1991, 91, 2, 165–195. doi:10.1021/cr00002a004.
