Supramolecular architecture of sodium heterocyclic dithiocarbamate salt: Insights from spectral analysis and bond valence sum characterization
The hydrated sodium salt of 1,2,3,4-tetrahydroquinolinedithiocarbamate (1) has been successfully synthesized and characterized using IR, NMR, and X-ray single crystal analysis. The υC–S and thioureide υC–N bands appeared at 1484 cm−1 and 968 cm−1, respectively, in Na(H2O)3+(thqdtc)– • H2O. The notab...
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Elsevier
2024-04-01
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| Series: | Heliyon |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2405844024046735 |
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| author | Srinivasan N S. Thirumaran |
| author_facet | Srinivasan N S. Thirumaran |
| author_sort | Srinivasan N |
| collection | DOAJ |
| description | The hydrated sodium salt of 1,2,3,4-tetrahydroquinolinedithiocarbamate (1) has been successfully synthesized and characterized using IR, NMR, and X-ray single crystal analysis. The υC–S and thioureide υC–N bands appeared at 1484 cm−1 and 968 cm−1, respectively, in Na(H2O)3+(thqdtc)– • H2O. The notable NCS2 carbon signal emerged at 212 ppm, credited to unique nitrogen and sulfur-induced deshielding effects. Compound 1 crystallizes in the monoclinic system, P21/c space group, with dimensions a = 14.4297(4) Å, b = 6.1534(2) Å, c = 17.6701(4) Å, β = 108.7340(10)°, V = 1485.83(7) Å3, and Z = 4. The structure of 1 exhibits a supramolecular architecture through secondary interactions, such as weak intermolecular interactions that link the molecules into a linear polymeric chain. The incorporation of heterocyclic rings in the dithiocarbamate ligands leads to the formation of an intriguing supramolecular architecture, as confirmed by BVS analysis results. The BVS value of sodium does not agree well with the formal oxidation state due to the interactions of anions, cations, coordinated and uncoordinated water molecules. |
| first_indexed | 2024-04-24T11:21:17Z |
| format | Article |
| id | doaj.art-46c6184fa415421a8c50a31d1e100ced |
| institution | Directory Open Access Journal |
| issn | 2405-8440 |
| language | English |
| last_indexed | 2024-04-24T11:21:17Z |
| publishDate | 2024-04-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Heliyon |
| spelling | doaj.art-46c6184fa415421a8c50a31d1e100ced2024-04-11T04:41:33ZengElsevierHeliyon2405-84402024-04-01107e28642Supramolecular architecture of sodium heterocyclic dithiocarbamate salt: Insights from spectral analysis and bond valence sum characterizationSrinivasan N0S. Thirumaran1Department of Chemistry, Saveetha School of Engineering, Saveetha Institute of Medical And Technical Sciences (SIMATS), Saveetha Nagar, Thandalam, Chennai, 602105, Tamil Nadu, India; Department of Chemistry, Annamalai University, Annamalainagar, 608 002, IndiaDepartment of Chemistry, Annamalai University, Annamalainagar, 608 002, India; Corresponding author.The hydrated sodium salt of 1,2,3,4-tetrahydroquinolinedithiocarbamate (1) has been successfully synthesized and characterized using IR, NMR, and X-ray single crystal analysis. The υC–S and thioureide υC–N bands appeared at 1484 cm−1 and 968 cm−1, respectively, in Na(H2O)3+(thqdtc)– • H2O. The notable NCS2 carbon signal emerged at 212 ppm, credited to unique nitrogen and sulfur-induced deshielding effects. Compound 1 crystallizes in the monoclinic system, P21/c space group, with dimensions a = 14.4297(4) Å, b = 6.1534(2) Å, c = 17.6701(4) Å, β = 108.7340(10)°, V = 1485.83(7) Å3, and Z = 4. The structure of 1 exhibits a supramolecular architecture through secondary interactions, such as weak intermolecular interactions that link the molecules into a linear polymeric chain. The incorporation of heterocyclic rings in the dithiocarbamate ligands leads to the formation of an intriguing supramolecular architecture, as confirmed by BVS analysis results. The BVS value of sodium does not agree well with the formal oxidation state due to the interactions of anions, cations, coordinated and uncoordinated water molecules.http://www.sciencedirect.com/science/article/pii/S2405844024046735Heterocyclic dithiocarbamateCoordination chemistrySpectral analysisStructural analysisHydrogen bondingBond valence sum analysis |
| spellingShingle | Srinivasan N S. Thirumaran Supramolecular architecture of sodium heterocyclic dithiocarbamate salt: Insights from spectral analysis and bond valence sum characterization Heliyon Heterocyclic dithiocarbamate Coordination chemistry Spectral analysis Structural analysis Hydrogen bonding Bond valence sum analysis |
| title | Supramolecular architecture of sodium heterocyclic dithiocarbamate salt: Insights from spectral analysis and bond valence sum characterization |
| title_full | Supramolecular architecture of sodium heterocyclic dithiocarbamate salt: Insights from spectral analysis and bond valence sum characterization |
| title_fullStr | Supramolecular architecture of sodium heterocyclic dithiocarbamate salt: Insights from spectral analysis and bond valence sum characterization |
| title_full_unstemmed | Supramolecular architecture of sodium heterocyclic dithiocarbamate salt: Insights from spectral analysis and bond valence sum characterization |
| title_short | Supramolecular architecture of sodium heterocyclic dithiocarbamate salt: Insights from spectral analysis and bond valence sum characterization |
| title_sort | supramolecular architecture of sodium heterocyclic dithiocarbamate salt insights from spectral analysis and bond valence sum characterization |
| topic | Heterocyclic dithiocarbamate Coordination chemistry Spectral analysis Structural analysis Hydrogen bonding Bond valence sum analysis |
| url | http://www.sciencedirect.com/science/article/pii/S2405844024046735 |
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