134
M. M. Kabanda and K. P. Otukile
Table 3
(continued)
Results involving the thione form of thiourea
Bond distance Critical point data caa
tu-t
RC-t
TS1-t
IM1
TS2
IM2
TS3
PC
P iso
∇ 2
ρ
−0.558
−0.989
−0.944
N10–H11
ρ
0.346
0.333
0.342
0.335
0.343
0.150
∇ 2
ρ
−1.800
−2.024
−2.005
−1.957
−1.776
−0.218
O3–H11
ρ
0.153
∇ 2
ρ
−0.181
M. M. Kabanda and K. P. Otukile
Table 3
(continued)
Results involving the thione form of thiourea
Bond distance Critical point data caa
tu-t
RC-t
TS1-t
IM1
TS2
IM2
TS3
PC
P iso
∇ 2
ρ
−0.558
−0.989
−0.944
N10–H11
ρ
0.346
0.333
0.342
0.335
0.343
0.150
∇ 2
ρ
−1.800
−2.024
−2.005
−1.957
−1.776
−0.218
O3–H11
ρ
0.153
∇ 2
ρ
−0.181