Scanning the surface of potential energy when changing the C
1
-N
1
distance for diazonium salts (DFT B3LYP aug-cc-pVDZ):
4-MeOPhN
2
+
4-MeOPhN
2
+
BF
4
-
4-MeOPhN
2
+
Cl
-
4-MeOPhN
2
+
HSO
4
-
4-MeOPhN
2
+
NO3-
4-MeOPhN
2
+
CF
3
COO
-
4-MeOPhN
2
+
AcO
-
4-MeOPhN
2
+
HCOO
-
4-MeOPhN
2
+
TfO
-
4-MeOPhN
2
+
TsO
-
PhN
2
+
PhN
2
+
BF
4
-
PhN
2
+
Cl
-
PhN
2
+
HSO
4
-
PhN
2
+
NO3-
PhN
2
+
CF
3
COO
-
PhN
2
+
AcO
-
PhN
2
+
HCOO
-
PhN
2
+
TfO
-
PhN
2
+
TsO
-
4-NO
2
PhN
2
+
4-NO
2
PhN
2
+
BF
4
-
4-NO
2
PhN
2
+
Cl
-
4-NO
2
PhN
2
+
HSO
4
-
4-NO
2
PhN
2
+
NO3-
4-NO
2
PhN
2
+
CF
3
COO
-
4-NO
2
PhN
2
+
AcO
-
4-NO
2
PhN
2
+
HCOO
-
4-NO
2
PhN
2
+
TfO
-