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

Molecules (Basel, Switzerland), 2023-03, Vol.28 (5) [Peer Reviewed Journal]

COPYRIGHT 2023 MDPI AG ;ISSN: 1420-3049 ;EISSN: 1420-3049 ;DOI: 10.3390/molecules28052305

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  • Title:
    Cd Mixed Ligand Complexes of Dithiocarbamate and Tertiary Phosphine Ligands—Spectroscopic, Anti-Microbial, and Computational Studies
  • Author: Abdullah, Tohama B ; Behjatmanesh-Ardakani, Reza ; Faihan, Ahmed S ; Jirjes, Hayfa M ; Abou-Krisha, Mortaga M ; Yousef, Tarek A ; Kenawy, Sayed H ; Al-Janabi, Ahmed S. M
  • Subjects: Palladium
  • Is Part Of: Molecules (Basel, Switzerland), 2023-03, Vol.28 (5)
  • Description: 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 ([sup.1]H and [sup.31]P), 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)[sub.2](dppe)] and [Cd(PAC-dtc)[sub.2](PPh[sub.3])[sub.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)[sub.2](dppe)](1), [Cd(PAC-dtc)[sub.2](dppe)](2), [Cd(PAC-dtc)[sub.2](PPh[sub.3])[sub.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)[sub.2](dppe)](2) compared to [Cd(PAC-dtc)[sub.2](PPh[sub.3])[sub.2]](7) due to the ring constrain in the dppe ligand. Moreover, the [Pd(PAC-dtc)[sub.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.
  • Publisher: MDPI AG
  • Language: English
  • Identifier: ISSN: 1420-3049
    EISSN: 1420-3049
    DOI: 10.3390/molecules28052305
  • Source: Geneva Foundation Free Medical Journals at publisher websites
    PubMed Central
    Alma/SFX Local Collection
    ProQuest Central
    DOAJ Directory of Open Access Journals
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