Complex ρb 2ρb Gb Vb Hb -Gb/Vb E(2)(1) a E(2)(2) a q(PO2F) b
Ph-CN…PO2F 0.0959 0.0358 0.0744 -0.1397 -0.0654 0.5321 114.15 5.09 -0.193
F-Ph-CN…PO2F 0.0951 0.0323 0.0725 -0.1370 -0.0645 0.5295 111.28 5.04 -0.190
Cl-Ph-CN…PO2F 0.0949 0.0316 0.0720 -0.1362 -0.0641 0.5290 110.80 5.04 -0.189
Br-Ph-CN…PO2F 0.0949 0.0316 0.0720 -0.1362 -0.0641 0.5290 110.84 5.04 -0.189
CN-Ph-CN…PO2F 0.0905 0.0204 0.0635 -0.1219 -0.0584 0.5210 100.73 4.90 -0.176
CH3-Ph-CN…PO2F 0.0978 0.0432 0.0786 -0.1464 -0.0678 0.5369 118.91 5.14 -0.200
NH2 -Ph-CN…PO2F 0.1029 0.0638 0.0896 -0.1632 -0.0736 0.5489 142.10 3.54 -0.216