Synthesis, X-ray Structures and Hirshfeld Analysis of Two Novel Thiocyanate-Bridged Ag(I) Coordination Polymers
Two novel silver(I) coordination polymers, [Ag(<b>4BP</b>)(SCN)]<sub>n</sub> (<b>1</b>) and {(<b>4BP</b>H)<sup>+</sup>[Ag(SCN)<sub>2</sub>]<sup>−</sup>}<sub>n</sub> (<b>2</b>) (<b>4BP<...
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MDPI AG
2023-10-01
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| Series: | Inorganics |
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| Online Access: | https://www.mdpi.com/2304-6740/11/10/417 |
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| author | Mezna Saleh Altowyan Eman M. Fathalla Jörg H. Albering Morsy A. M. Abu-Youssef Taher S. Kassem Assem Barakat Matti Haukka Ahmed M. A. Badr Saied M. Soliman |
| author_facet | Mezna Saleh Altowyan Eman M. Fathalla Jörg H. Albering Morsy A. M. Abu-Youssef Taher S. Kassem Assem Barakat Matti Haukka Ahmed M. A. Badr Saied M. Soliman |
| author_sort | Mezna Saleh Altowyan |
| collection | DOAJ |
| description | Two novel silver(I) coordination polymers, [Ag(<b>4BP</b>)(SCN)]<sub>n</sub> (<b>1</b>) and {(<b>4BP</b>H)<sup>+</sup>[Ag(SCN)<sub>2</sub>]<sup>−</sup>}<sub>n</sub> (<b>2</b>) (<b>4BP</b> = 4-benzoyl pyridine), have been synthesized. The two complexes were prepared using almost the same reagents, which were AgNO<sub>3</sub>, <b>4BP</b> and NH<sub>4</sub>SCN. The only difference was the presence of 1:1 (<i>v/v</i>) HNO<sub>3</sub> in the synthesis of <b>2</b>. In the two complexes, the Ag(I) has distorted tetrahedral coordination geometry. The structure of both complexes and the involvement of the thiocyanate anion as a linker between the Ag(I) centers were confirmed using single-crystal X-ray diffraction. <b>4BP</b> participated as a monodentate ligand in the coordination sphere of complex <b>1</b>, while in <b>2</b> it is found protonated (<b>4BP</b>-H)<sup>+</sup> and acts as a counter ion, which balances the charge of the anionic [Ag(SCN)<sub>2</sub>]<sup>−</sup> moiety. The thiocyanate anion shows different coordination modes in the two complexes. In complex <b>1</b>, the thiocyanate anion exhibits a <i>µ<sub>1,1,3</sub></i> bridging mode, which binds three Ag(I) ions to build a boat-like ten-membered ring structure leading to a two-dimensional coordination polymer. In <b>2</b>, there are mixed <i>µ</i><sub>1,1</sub> and <i>µ</i><sub>1,3</sub> bridging thiocyanate groups, which form the one-dimensional polymeric chain running in the <i>a</i>-direction. Several interactions affected the stability of the crystal structure of the two complexes. These interactions were examined using Hirshfeld surface analysis. The coordination interactions (Ag-S and Ag-N) have a great impact on the stability of the polymeric structure of the two complexes. Additionally, the hydrogen-bonding interactions are crucial in the assembly of these coordination polymers. The O…H (10.7%) and C…H (34.2%) contacts in <b>1</b> as well as the N···H (15.3%) and S···H (14.9%) contacts in <b>2</b> are the most significant. Moreover, the argentophilic interaction (Ag…Ag = 3.378 Å) and π- π stacking play an important role in the assembly of complex <b>2</b>. |
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| last_indexed | 2024-03-10T21:10:53Z |
| publishDate | 2023-10-01 |
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| series | Inorganics |
| spelling | doaj.art-800aae4f887b4f9d98f56f8b309fd0e32023-11-19T16:49:23ZengMDPI AGInorganics2304-67402023-10-01111041710.3390/inorganics11100417Synthesis, X-ray Structures and Hirshfeld Analysis of Two Novel Thiocyanate-Bridged Ag(I) Coordination PolymersMezna Saleh Altowyan0Eman M. Fathalla1Jörg H. Albering2Morsy A. M. Abu-Youssef3Taher S. Kassem4Assem Barakat5Matti Haukka6Ahmed M. A. Badr7Saied M. Soliman8Department 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, Ibrahimia, P.O. Box 426, Alexandria 21321, EgyptGraz University of Technology, Mandellstr. 11/III, A-8010 Graz, AustriaDepartment of Chemistry, Faculty of Science, Alexandria University, Ibrahimia, P.O. Box 426, Alexandria 21321, EgyptDepartment of Chemistry, Faculty of Science, Alexandria University, Ibrahimia, P.O. Box 426, Alexandria 21321, EgyptDepartment of Chemistry, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi ArabiaDepartment of Chemistry, University of Jyväskylä, P.O. Box 35, FI-40014 Jyväskylä, FinlandDepartment of Chemistry, Faculty of Science, Alexandria University, Ibrahimia, P.O. Box 426, Alexandria 21321, EgyptDepartment of Chemistry, Faculty of Science, Alexandria University, Ibrahimia, P.O. Box 426, Alexandria 21321, EgyptTwo novel silver(I) coordination polymers, [Ag(<b>4BP</b>)(SCN)]<sub>n</sub> (<b>1</b>) and {(<b>4BP</b>H)<sup>+</sup>[Ag(SCN)<sub>2</sub>]<sup>−</sup>}<sub>n</sub> (<b>2</b>) (<b>4BP</b> = 4-benzoyl pyridine), have been synthesized. The two complexes were prepared using almost the same reagents, which were AgNO<sub>3</sub>, <b>4BP</b> and NH<sub>4</sub>SCN. The only difference was the presence of 1:1 (<i>v/v</i>) HNO<sub>3</sub> in the synthesis of <b>2</b>. In the two complexes, the Ag(I) has distorted tetrahedral coordination geometry. The structure of both complexes and the involvement of the thiocyanate anion as a linker between the Ag(I) centers were confirmed using single-crystal X-ray diffraction. <b>4BP</b> participated as a monodentate ligand in the coordination sphere of complex <b>1</b>, while in <b>2</b> it is found protonated (<b>4BP</b>-H)<sup>+</sup> and acts as a counter ion, which balances the charge of the anionic [Ag(SCN)<sub>2</sub>]<sup>−</sup> moiety. The thiocyanate anion shows different coordination modes in the two complexes. In complex <b>1</b>, the thiocyanate anion exhibits a <i>µ<sub>1,1,3</sub></i> bridging mode, which binds three Ag(I) ions to build a boat-like ten-membered ring structure leading to a two-dimensional coordination polymer. In <b>2</b>, there are mixed <i>µ</i><sub>1,1</sub> and <i>µ</i><sub>1,3</sub> bridging thiocyanate groups, which form the one-dimensional polymeric chain running in the <i>a</i>-direction. Several interactions affected the stability of the crystal structure of the two complexes. These interactions were examined using Hirshfeld surface analysis. The coordination interactions (Ag-S and Ag-N) have a great impact on the stability of the polymeric structure of the two complexes. Additionally, the hydrogen-bonding interactions are crucial in the assembly of these coordination polymers. The O…H (10.7%) and C…H (34.2%) contacts in <b>1</b> as well as the N···H (15.3%) and S···H (14.9%) contacts in <b>2</b> are the most significant. Moreover, the argentophilic interaction (Ag…Ag = 3.378 Å) and π- π stacking play an important role in the assembly of complex <b>2</b>.https://www.mdpi.com/2304-6740/11/10/417AgSCN coordination polymer4-benzoyl pyridineX-ray diffractionsupramolecularHirshfeld |
| spellingShingle | Mezna Saleh Altowyan Eman M. Fathalla Jörg H. Albering Morsy A. M. Abu-Youssef Taher S. Kassem Assem Barakat Matti Haukka Ahmed M. A. Badr Saied M. Soliman Synthesis, X-ray Structures and Hirshfeld Analysis of Two Novel Thiocyanate-Bridged Ag(I) Coordination Polymers Inorganics AgSCN coordination polymer 4-benzoyl pyridine X-ray diffraction supramolecular Hirshfeld |
| title | Synthesis, X-ray Structures and Hirshfeld Analysis of Two Novel Thiocyanate-Bridged Ag(I) Coordination Polymers |
| title_full | Synthesis, X-ray Structures and Hirshfeld Analysis of Two Novel Thiocyanate-Bridged Ag(I) Coordination Polymers |
| title_fullStr | Synthesis, X-ray Structures and Hirshfeld Analysis of Two Novel Thiocyanate-Bridged Ag(I) Coordination Polymers |
| title_full_unstemmed | Synthesis, X-ray Structures and Hirshfeld Analysis of Two Novel Thiocyanate-Bridged Ag(I) Coordination Polymers |
| title_short | Synthesis, X-ray Structures and Hirshfeld Analysis of Two Novel Thiocyanate-Bridged Ag(I) Coordination Polymers |
| title_sort | synthesis x ray structures and hirshfeld analysis of two novel thiocyanate bridged ag i coordination polymers |
| topic | AgSCN coordination polymer 4-benzoyl pyridine X-ray diffraction supramolecular Hirshfeld |
| url | https://www.mdpi.com/2304-6740/11/10/417 |
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