Synthesis of N,N-Diethyldithiocarbamate Nitrile Ethyl and the Chelating Behaviors with Metal Ions

Table 3

Mulliken charge distribution of each atom of NND interaction with copper ion.

Atomic categories	C(1)	C(2)	N(3)	C(4)	S(5)	C(6)	C(7)	C(8)	N(9)
Electricity/	−0.312	−0.139	−0.215	0.268	−0.240	−0.214	−0.268	0.100	−0.268
Atomic categories	C(10)	C(11)	S(12)	H(13)	H(14)	H(15)	H(16)	H(17)	H(18)
Electricity/	−0.308	−0.130	−0.282	0.133	0.113	0.102	0.106	0.140	0.124
Atomic categories	H(19)	H(20)	H(21)	H(22)	H(23)	H(24)	H(25)	H(26)	Cu(27)
Electricity/	0.140	0.128	0.141	0.110	0.132	0.105	0.124	0.104	0.206