Spectroscopic, computational, anti-bacterial studies of bivalent metal complexes of N-picolyl-amine dithiocarbamate

Abdullah, Tohama B.; Jirjes, Hayfa M.; Faihan, Ahmed S.; Al‐Janabi, Ahmed S.M.

doi:10.1016/j.molstruc.2022.134730

Cited by 4 publications

(1 citation statement)

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“…The molar conductivity is measured using (JENWEAY-Molar Conductivity meter) for a DMSO solution of the prepared complexes with 10 −3 M at 25 • C. All materials used in this study were purchased from Merck or Alfa-Aser and used without further purification. The [Pd(PCA-dtc) 2 ] and [Pd(PCA-dtc) 2 ] complexes were according to the literature [40].…”

Section: Materials and Physical Measurementsmentioning

confidence: 99%

Cd(II) and Pd(II) Mixed Ligand Complexes of Dithiocarbamate and Tertiary Phosphine Ligands—Spectroscopic, Anti-Microbial, and Computational Studies

Abdullah

Behjatmanesh–Ardakani

Faihan

et al. 2023

Molecules

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Mixed ligand complexes of Pd(II) and Cd(II) with N-picolyl-amine dithiocarbamate (PAC-dtc) as primary ligand and tertiary phosphine ligand as secondary ligands have been synthesized and characterized via elemental analysis, molar conductance, NMR (1H and 31P), and IR techniques. The PAC-dtc ligand displayed in a monodentate fashion via sulfur atom whereas diphosphine ligands coordinated as a bidentate mode to afford a square planner around the Pd(II) ion or tetrahedral around the Cd(II) ion. Except for complexes [Cd(PAC-dtc)2(dppe)] and [Cd(PAC-dtc)2(PPh3)2], the prepared complexes showed significant antimicrobial activity when evaluated against Staphylococcus aureus, Pseudomonas aeruginosa, Candida albicans and Aspergillus niger. Moreover, DFT calculations were performed to investigate three complexes {[Pd(PAC-dtc)2(dppe)](1), [Cd(PAC-dtc)2(dppe)](2), [Cd(PAC-dtc)2(PPh3)2](7)}, and their quantum parameters were evaluated using the Gaussian 09 program at the B3LYP/Lanl2dz theoretical level. The optimized structures of the three complexes were square planar and tetrahedral geometry. The calculated bond lengths and bond angles showed a slightly distorted tetrahedral geometry for [Cd(PAC-dtc)2(dppe)](2) compared to [Cd(PAC-dtc)2(PPh3)2](7) due to the ring constrain in the dppe ligand. Moreover, the [Pd(PAC-dtc)2(dppe)](1) complex showed higher stability compared to Cd(2) and Cd(7) complexes which can be attributed to the higher back-donation of Pd(1) complex.

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Section: Materials and Physical Measurementsmentioning

confidence: 99%