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

Table 2

Each atom Mulliken charge distribution of optimization molecular structure of NND.

Atomic categories	C(1)	C(2)	N(3)	C(4)	S(5)	C(6)	C(7)	C(8)	N(9)
Electricity/	−0.322	−0.119	−0.243	0.412	−0.212	−0.207	−0.301	0.111	−0.205
Atomic categories	C(10)	C(11)	S(12)	H(13)	H(14)	H(15)	H(16)	H(17)	H(18)
Electricity/	−0.321	−0.155	−0.524	0.140	0.118	0.109	0.116	0.151	0.170
Atomic categories	H(19)	H(20)	H(21)	H(22)	H(23)	H(24)	H(25)
Electricity/	0.155	0.191	0.168	0.123	0.135	0.121	0.157