Synthesis, X-ray, Hirshfeld, and AIM Studies on Zn(II) and Cd(II) Complexes with Pyridine Ligands
The synthesis and crystal structures of three heteroleptic complexes of Zn(II) and Cd(II) with pyridine ligands (ethyl nicotinate (<b>EtNic</b>), N,N-diethylnicotinamide (<b>DiEtNA</b>), and 2-amino-5-picoline (<b>2Ampic</b>) are presented. The complex <b>[Z...
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MDPI AG
2022-04-01
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| Series: | Crystals |
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| Online Access: | https://www.mdpi.com/2073-4352/12/5/590 |
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| author | Mezna Saleh Altowyan Eman M. Fathalla Dalia Hawas Jörg H. Albering Assem Barakat Morsy A. M. Abu-Youssef Saied M. Soliman Taher S. Kassem Ahmed M. A. Badr |
| author_facet | Mezna Saleh Altowyan Eman M. Fathalla Dalia Hawas Jörg H. Albering Assem Barakat Morsy A. M. Abu-Youssef Saied M. Soliman Taher S. Kassem Ahmed M. A. Badr |
| author_sort | Mezna Saleh Altowyan |
| collection | DOAJ |
| description | The synthesis and crystal structures of three heteroleptic complexes of Zn(II) and Cd(II) with pyridine ligands (ethyl nicotinate (<b>EtNic</b>), N,N-diethylnicotinamide (<b>DiEtNA</b>), and 2-amino-5-picoline (<b>2Ampic</b>) are presented. The complex <b>[Zn(EtNic)<sub>2</sub>Cl<sub>2</sub>]</b> (<b>1</b>) showed a distorted tetrahedral coordination geometry with two <b>EtNic</b> ligand units and two chloride ions as monodentate ligands. Complexes <b>[Zn(DiEtNA)(H<sub>2</sub>O)<sub>4</sub>(SO<sub>4</sub>)]·H<sub>2</sub>O</b> (<b>2</b>) and <b>[Cd(OAc)<sub>2</sub>(2Ampic)<sub>2</sub>]</b> (<b>3</b>) had hexa-coordinated Zn(II) and Cd(II) centers. In the former, the Zn(II) was coordinated with three different monodentate ligands, which were <b>DiEtNA</b>, H<sub>2</sub>O, and SO<sub>4</sub><sup>2−</sup>. In <b>3</b>, the Cd(II) ion was coordinated with two bidentate acetate ions and two monodentate <b>2Ampic</b> ligand units. The supramolecular structures of the three complexes were elucidated using Hirshfeld analysis. In <b>1</b>, the most important interactions that governed the molecular packing were O···H (15.5–15.6%), Cl···H (13.6–13.8%), Cl···C (6.3%), and C···H (10.3–10.6%) contacts. For complexes <b>2</b> and <b>3</b>, the H···H, O···H, and C···H contacts dominated. Their percentages were 50.2%, 41.2%, and 7.1%, respectively, for <b>2</b> and 57.1%, 19.6%, and 15.2%, respectively, for <b>3</b>. Only in complex <b>3</b>, weak π-π stacking interactions between the stacked pyridines were found. The Zn(II) natural charges were calculated using the DFT method to be 0.8775, 1.0559, and 1.2193 for complexes <b>1</b>–<b>3</b>, respectively. A predominant closed-shell character for the Zn–Cl, Zn–N, Zn–O, Cd–O, and Cd–N bonds was also concluded from an atoms in molecules (AIM) study. |
| first_indexed | 2024-03-10T03:05:53Z |
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| institution | Directory Open Access Journal |
| issn | 2073-4352 |
| language | English |
| last_indexed | 2024-03-10T03:05:53Z |
| publishDate | 2022-04-01 |
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| series | Crystals |
| spelling | doaj.art-862fe98a5e774e22a9c6214bcb6a46f82023-11-23T10:34:06ZengMDPI AGCrystals2073-43522022-04-0112559010.3390/cryst12050590Synthesis, X-ray, Hirshfeld, and AIM Studies on Zn(II) and Cd(II) Complexes with Pyridine LigandsMezna Saleh Altowyan0Eman M. Fathalla1Dalia Hawas2Jörg H. Albering3Assem Barakat4Morsy A. M. Abu-Youssef5Saied M. Soliman6Taher S. Kassem7Ahmed M. A. Badr8Department of Chemistry, College of Science, Princess Nourah bint Abdulrahman University, P.O. Box 84428, Riyadh 11671, Saudi ArabiaDepartment of Chemistry, Faculty of Science, Alexandria University, P.O. Box 426, Ibrahimia, Alexandria 21321, EgyptDepartment of Chemistry, Faculty of Science, Alexandria University, P.O. Box 426, Ibrahimia, Alexandria 21321, EgyptGraz University of Technology, Mandellstr. 11/III, A-8010 Graz, AustriaDepartment of Chemistry, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi ArabiaDepartment of Chemistry, Faculty of Science, Alexandria University, P.O. Box 426, Ibrahimia, Alexandria 21321, EgyptDepartment of Chemistry, Faculty of Science, Alexandria University, P.O. Box 426, Ibrahimia, Alexandria 21321, EgyptDepartment of Chemistry, Faculty of Science, Alexandria University, P.O. Box 426, Ibrahimia, Alexandria 21321, EgyptDepartment of Chemistry, Faculty of Science, Alexandria University, P.O. Box 426, Ibrahimia, Alexandria 21321, EgyptThe synthesis and crystal structures of three heteroleptic complexes of Zn(II) and Cd(II) with pyridine ligands (ethyl nicotinate (<b>EtNic</b>), N,N-diethylnicotinamide (<b>DiEtNA</b>), and 2-amino-5-picoline (<b>2Ampic</b>) are presented. The complex <b>[Zn(EtNic)<sub>2</sub>Cl<sub>2</sub>]</b> (<b>1</b>) showed a distorted tetrahedral coordination geometry with two <b>EtNic</b> ligand units and two chloride ions as monodentate ligands. Complexes <b>[Zn(DiEtNA)(H<sub>2</sub>O)<sub>4</sub>(SO<sub>4</sub>)]·H<sub>2</sub>O</b> (<b>2</b>) and <b>[Cd(OAc)<sub>2</sub>(2Ampic)<sub>2</sub>]</b> (<b>3</b>) had hexa-coordinated Zn(II) and Cd(II) centers. In the former, the Zn(II) was coordinated with three different monodentate ligands, which were <b>DiEtNA</b>, H<sub>2</sub>O, and SO<sub>4</sub><sup>2−</sup>. In <b>3</b>, the Cd(II) ion was coordinated with two bidentate acetate ions and two monodentate <b>2Ampic</b> ligand units. The supramolecular structures of the three complexes were elucidated using Hirshfeld analysis. In <b>1</b>, the most important interactions that governed the molecular packing were O···H (15.5–15.6%), Cl···H (13.6–13.8%), Cl···C (6.3%), and C···H (10.3–10.6%) contacts. For complexes <b>2</b> and <b>3</b>, the H···H, O···H, and C···H contacts dominated. Their percentages were 50.2%, 41.2%, and 7.1%, respectively, for <b>2</b> and 57.1%, 19.6%, and 15.2%, respectively, for <b>3</b>. Only in complex <b>3</b>, weak π-π stacking interactions between the stacked pyridines were found. The Zn(II) natural charges were calculated using the DFT method to be 0.8775, 1.0559, and 1.2193 for complexes <b>1</b>–<b>3</b>, respectively. A predominant closed-shell character for the Zn–Cl, Zn–N, Zn–O, Cd–O, and Cd–N bonds was also concluded from an atoms in molecules (AIM) study.https://www.mdpi.com/2073-4352/12/5/590cadmium(II)zinc(II)pyridine-type ligandHirshfeldintermolecular interactionsX-ray |
| spellingShingle | Mezna Saleh Altowyan Eman M. Fathalla Dalia Hawas Jörg H. Albering Assem Barakat Morsy A. M. Abu-Youssef Saied M. Soliman Taher S. Kassem Ahmed M. A. Badr Synthesis, X-ray, Hirshfeld, and AIM Studies on Zn(II) and Cd(II) Complexes with Pyridine Ligands Crystals cadmium(II) zinc(II) pyridine-type ligand Hirshfeld intermolecular interactions X-ray |
| title | Synthesis, X-ray, Hirshfeld, and AIM Studies on Zn(II) and Cd(II) Complexes with Pyridine Ligands |
| title_full | Synthesis, X-ray, Hirshfeld, and AIM Studies on Zn(II) and Cd(II) Complexes with Pyridine Ligands |
| title_fullStr | Synthesis, X-ray, Hirshfeld, and AIM Studies on Zn(II) and Cd(II) Complexes with Pyridine Ligands |
| title_full_unstemmed | Synthesis, X-ray, Hirshfeld, and AIM Studies on Zn(II) and Cd(II) Complexes with Pyridine Ligands |
| title_short | Synthesis, X-ray, Hirshfeld, and AIM Studies on Zn(II) and Cd(II) Complexes with Pyridine Ligands |
| title_sort | synthesis x ray hirshfeld and aim studies on zn ii and cd ii complexes with pyridine ligands |
| topic | cadmium(II) zinc(II) pyridine-type ligand Hirshfeld intermolecular interactions X-ray |
| url | https://www.mdpi.com/2073-4352/12/5/590 |
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