Scanning the surface of potential energy when changing the C
1
-N
1
distance for diazonium salts (DFT B3LYP 6-31G(d,p)):
4-MeOPhN
2
+
4-MeOPhN
2
+
BF
4
-
4-MeOPhN
2
+
Cl
-
4-MeOPhN
2
+
HSO
4
-
4-MeOPhN
2
+
OH-
4-MeOPhN
2
+
TfO
-
4-MeOPhN
2
+
TsO
-
4-NO
2
PhN
2
+
4-NO
2
PhN
2
+
BF
4
-
4-NO
2
PhN
2
+
HSO
4
-
4-NO
2
PhN
2
+
OAc-
4-NO
2
PhN
2
+
OH-
4-NO
2
PhN
2
+
TfO
-
4-NO
2
PhN
2
+
TsO
-
PhN
2
+
PhN
2
+
BF
4
-
PhN
2
+
Cl
-
PhN
2
+
HSO
4
-
PhN
2
+
OAc-
PhN
2
+
OH-
PhN
2
+
TfO
-
PhN
2
+
TsO
-