Synthesis, CP-MAS NMR Characterization, and Antibacterial Activities of Glycine and Histidine Complexes of Cd(SeCN)₂ and Hg(SeCN)₂

Table 8

Selected torsion angle (°) for [LM(SeCN)₂] for optimized structure using B3LYP/LanL2DZ; L refers to Histidine and Glycine, while M refers to Hg or Cd.

Hg(SeCN)2 + His		Cd(SeCN)2 + His		Hg(SeCN)2 + Gly		Cd(SeCN)2 + Gly
Se1-C-N4	178.79	Se1-C-N4	178.45	Se1-C-N3	178.03	Se1-C-N2	178.20
Se2-C-N5	176.36	Se2-C-N5	175.84	Se2-C-N2	177.04	Se2-C-N3	176.32
N1-Hg-N2	83.87	N1-Cd-N2	87.79	N1-Hg-O1	64.67	N1-Cd-O1	96.81
Se1-Hg-Se2	125.79	Se1-Cd-Se2	121.32	Se1-Hg-Se2	149.92	Se1-Cd-Se2	139.71
Se1-Hg-N1	108.92	Se1-Cd-N1	111.15	Se1-Hg-N1	107.50	Se1-Cd-N1	112.35
Se2-Hg-N2	99.18	Se2-Cd-N2	101.26	Se2-Hg-O1	111.58	Se2-Cd-O1	112.17
Se1-Hg-N2	118.69	Se1-Cd-N2	116.85	Se1-Hg-O1	89.99	Se1-Cd-O1	96.81
Se2-Hg-N1	112.60	Se2-Cd-N1	113.30	Se2-Hg-N1	100.81	Se2-Cd-N1	103.86