Cd(II) and Pd(II) Mixed Ligand Complexes of Dithiocarbamate and Tertiary Phosphine Ligands—Spectroscopic, Anti-Microbial, and Computational Studies
Mixed ligand complexes of Pd(II) and Cd(II) with <i>N</i>-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</sup>H and <...
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MDPI AG
2023-03-01
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| Online Access: | https://www.mdpi.com/1420-3049/28/5/2305 |
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| author | Tohama B. Abdullah Reza Behjatmanesh-Ardakani Ahmed S. Faihan Hayfa M. Jirjes Mortaga M. Abou-Krisha Tarek A. Yousef Sayed H. Kenawy Ahmed S. M. Al-Janabi |
| author_facet | Tohama B. Abdullah Reza Behjatmanesh-Ardakani Ahmed S. Faihan Hayfa M. Jirjes Mortaga M. Abou-Krisha Tarek A. Yousef Sayed H. Kenawy Ahmed S. M. Al-Janabi |
| author_sort | Tohama B. Abdullah |
| collection | DOAJ |
| description | Mixed ligand complexes of Pd(II) and Cd(II) with <i>N</i>-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</sup>H and <sup>31</sup>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</sub>(dppe)] and [Cd(PAC-dtc)<sub>2</sub>(PPh<sub>3</sub>)<sub>2</sub>], 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</sub>(dppe)](1), [Cd(PAC-dtc)<sub>2</sub>(dppe)](2), [Cd(PAC-dtc)<sub>2</sub>(PPh<sub>3</sub>)<sub>2</sub>](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</sub>(dppe)](2) compared to [Cd(PAC-dtc)<sub>2</sub>(PPh<sub>3</sub>)<sub>2</sub>](7) due to the ring constrain in the dppe ligand. Moreover, the [Pd(PAC-dtc)<sub>2</sub>(dppe)](1) complex showed higher stability compared to <b>Cd(2)</b> and <b>Cd(7)</b> complexes which can be attributed to the higher back-donation of Pd(1) complex. |
| first_indexed | 2024-03-11T07:16:18Z |
| format | Article |
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| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-11T07:16:18Z |
| publishDate | 2023-03-01 |
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| spelling | doaj.art-33fc165113824e2ab43eea0e81b566f52023-11-17T08:14:50ZengMDPI AGMolecules1420-30492023-03-01285230510.3390/molecules28052305Cd(II) and Pd(II) Mixed Ligand Complexes of Dithiocarbamate and Tertiary Phosphine Ligands—Spectroscopic, Anti-Microbial, and Computational StudiesTohama B. Abdullah0Reza Behjatmanesh-Ardakani1Ahmed S. Faihan2Hayfa M. Jirjes3Mortaga M. Abou-Krisha4Tarek A. Yousef5Sayed H. Kenawy6Ahmed S. M. Al-Janabi7Department of Chemistry, College of Science, University of Tikrit, Tikrit 34001, IraqDepartment of Chemistry, Payame Noor University, Tehran 19395-4697, IranDepartment of Chemistry, College of Science, University of Tikrit, Tikrit 34001, IraqDepartment of Chemistry, College of Science, University of Tikrit, Tikrit 34001, IraqChemistry Department, Science College, Imam Mohammad Ibn Saud Islamic University, Riyadh 11623, Saudi ArabiaChemistry Department, Science College, Imam Mohammad Ibn Saud Islamic University, Riyadh 11623, Saudi ArabiaChemistry Department, Science College, Imam Mohammad Ibn Saud Islamic University, Riyadh 11623, Saudi ArabiaDepartment of Chemistry, College of Science, University of Tikrit, Tikrit 34001, IraqMixed ligand complexes of Pd(II) and Cd(II) with <i>N</i>-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</sup>H and <sup>31</sup>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</sub>(dppe)] and [Cd(PAC-dtc)<sub>2</sub>(PPh<sub>3</sub>)<sub>2</sub>], 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</sub>(dppe)](1), [Cd(PAC-dtc)<sub>2</sub>(dppe)](2), [Cd(PAC-dtc)<sub>2</sub>(PPh<sub>3</sub>)<sub>2</sub>](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</sub>(dppe)](2) compared to [Cd(PAC-dtc)<sub>2</sub>(PPh<sub>3</sub>)<sub>2</sub>](7) due to the ring constrain in the dppe ligand. Moreover, the [Pd(PAC-dtc)<sub>2</sub>(dppe)](1) complex showed higher stability compared to <b>Cd(2)</b> and <b>Cd(7)</b> complexes which can be attributed to the higher back-donation of Pd(1) complex.https://www.mdpi.com/1420-3049/28/5/2305picolylaminedithiocarbamatesingle-pot reactionDFTcomplexes |
| spellingShingle | Tohama B. Abdullah Reza Behjatmanesh-Ardakani Ahmed S. Faihan Hayfa M. Jirjes Mortaga M. Abou-Krisha Tarek A. Yousef Sayed H. Kenawy Ahmed S. M. Al-Janabi Cd(II) and Pd(II) Mixed Ligand Complexes of Dithiocarbamate and Tertiary Phosphine Ligands—Spectroscopic, Anti-Microbial, and Computational Studies Molecules picolylamine dithiocarbamate single-pot reaction DFT complexes |
| title | Cd(II) and Pd(II) Mixed Ligand Complexes of Dithiocarbamate and Tertiary Phosphine Ligands—Spectroscopic, Anti-Microbial, and Computational Studies |
| title_full | Cd(II) and Pd(II) Mixed Ligand Complexes of Dithiocarbamate and Tertiary Phosphine Ligands—Spectroscopic, Anti-Microbial, and Computational Studies |
| title_fullStr | Cd(II) and Pd(II) Mixed Ligand Complexes of Dithiocarbamate and Tertiary Phosphine Ligands—Spectroscopic, Anti-Microbial, and Computational Studies |
| title_full_unstemmed | Cd(II) and Pd(II) Mixed Ligand Complexes of Dithiocarbamate and Tertiary Phosphine Ligands—Spectroscopic, Anti-Microbial, and Computational Studies |
| title_short | Cd(II) and Pd(II) Mixed Ligand Complexes of Dithiocarbamate and Tertiary Phosphine Ligands—Spectroscopic, Anti-Microbial, and Computational Studies |
| title_sort | cd ii and pd ii mixed ligand complexes of dithiocarbamate and tertiary phosphine ligands spectroscopic anti microbial and computational studies |
| topic | picolylamine dithiocarbamate single-pot reaction DFT complexes |
| url | https://www.mdpi.com/1420-3049/28/5/2305 |
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