Table 3.

NICS (1) values for 1–3.

NICS (ppm)	1	2	3
a Thiophene ring NICS (1)	−23.82	−23.64	−22.19
b Thiophene ring NICS (1)	−24.82	−0.42	−0.53
c Thiophene ring NICS (1)	−23.82	−23.64	−22.19
d Thiophene ring NICS (1)	−23.82	−23.72	−22.19
e Thiophene ring NICS (1)	−24.82	−25.36	−0.56
f Thiophene ring NICS (1)	−23.82	−26.43	−22.19
g Pyrrole ring NICS (1)	−0.26	−0.16	−0.72
h Pyrrole ring NICS (1)	−0.26	−0.16	−0.72
i Intramolecular critical point NICS (1)	−23.76	−23.34	−23.12
j Intramolecular critical point NICS (1)	−23.76	−23.34	−23.12
k Intramolecular critical point NICS (1)	−23.76	−24.42	−23.12
l Intramolecular critical point NICS (1)	−23.76	−24.42	−23.12
m Molecular ring center NICS (1)	−15.12	−15.56	−16.23