Table 1: Condensed Fukui indices (Mulliken analyses) of IB, MB, and CV in gas phase.

Mulliken atomic charges

IBN(7) 0.046 C(9) 0.050N(7) −0.415
O(19) 0.072 O(19) 0.087N(14) −0.416
O(20) 0.071 O(20) 0.087 O(19) −0.475
O(20) −0.475

MBN(7) 0.061 N(7) 0.066N(7) −0.295
S(10) 0.056 S(10) 0.066S(10) 0.009
Cl(21) 0.238 Cl(21) 0.195N(15) −0.339
N(16) −0.332
Cl(21) −0.583

CVC(10) 0.054C(10) 0.061C(10) 0.120
Cl(29) 0.214Cl(29) 0.149N( 7) −0.345
N(24) −0.346
Cl(29) −0.547