Synthesis, Spectroscopic Characterization, Molecular Docking, and Evaluation of Antibacterial Potential of Transition Metal Complexes Obtained Using Triazole Chelating Ligand

Table 2

Thermoanalytical results (TG and DTG) of triazole ligand and its metal complexes.

Compound	TG range (°C)	DTGmax (°C)		Mass loss total mass loss calcd (estim) %	Assignment	Residue	DTA (°C)
HL	24–200	162, 181	2	28.24 (29.47)	(i) Loss of C7H16	—	60(−), 72(+), 99(−), 110(+), 186(−), 219(−)
	200–325	204, 237	2	71.77 (70.54) 100.1 (100.1)	(ii) Loss of C12 H22N4S
[Fe(HL)2(H2O)2]Cl3	25–300	267	1	50.91 (51.44)	(i) Loss of 3HCl and C25H54	½Fe2O3	55(−), 67(+), 152(−), 235(+), 280(+), 500(−), 688(−), 711(−)
	300–780	381, 573	2	40.49 (39.73) 91.40 (91.17)	(ii) Loss of 0.5(H2O), C13H25N8S2
[Co(HL)2(H2O)2]Cl2	25–250	150	1	15.67 (15.16)	(i) Loss of 2HCl, CH4, and C3H9	CoO	80(+), 176(−), 199(−), 263(−), 350(+), 415(−)
	250–400	359	1	33.75 (33.28)	(ii) Loss of H2O and C20H37
	400–680	410	1	44.62 (43.98) 94.04 (92.42)	(iii) Loss of C14H30N8S2
[Ni(HL)2(H2O)2]Cl2	25–200	58	1	18.33 (18.93)	(i) Loss of 2HCl, CH4, and C5H13	NiO	40(−), 63(+), 115(−), 125(+), 208(−), 286(−), 345(−), 370(+), 415(−)
	200–250	241	1	19.82 (19.28)	(ii) Loss of C12H25
	250–350	287	1	12.95 (13.36)	(iii) Loss of H2O and C7H11
	350–600	363	1	41.60 (39.95) 92.70 (91.52)	(iv) Loss of C13H23N8S2
[Cu(HL)2(H2O)2]Cl2	25–150	73,110	2	10.36 (9.04)	(i) Loss of CH4 and 2HCl	CuO	81(+), 95(−), 114(+), 237(−), 273(+), 369(−), 399(+)
	150–350	541	1	51.11 (51.49)	(ii) Loss of H2O and C31H61
	350–650	393	1	29.71 (30.35) 91.85 (90.88)	(iii) Loss of C6H13N8S2
[Cd(HL)2(H2O)2]Cl2	25–250	233	1	20.01 (22.47)	(i) Loss of CH4, 2HCl, and C8H19	CdO	100(+), 234(−), 306(+), 456(+), 523(+)
	250–400	311	1	18.12 (17.43)	(ii) Loss of H2O and C11H18
	400–500	442	1	9.06 (9.01)	(iii) Loss of C6H12
	500–800	630	1	37.43 (37.31) 84.62 (86.22)	(iv) Loss of C12H27N8S2