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Elaboration, Crystal Structure, Physicochemical Characterization and DFT Theoretical Calculation of a New Cd(II) Complex [C9H14N]2CdCl4

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Abstract

A novel organic–inorganic hybrid compound, bis(2-ethyl-6-methylanilinium) tetrachlorocadmate(II) [C9H14N]2CdCl4, has been prepared from an aqueous solution by slow evaporation at room temperature and characterized by various techniques, mainly single crystal X-ray diffraction. This compound belongs to the monoclinic space group P21/c with the unit cell parameters: a = 23.0418 (1), b = 26.3393 (9), c = 7.2196 (6)Å, β = 96.9900 (16)° and Z = 4. In the crystal structure, the inorganic entities consist of one-dimensional polymeric chains of Cd(1)Cl6 octahedra alternating with Cd(2)2Cl8 dimers. The organic cations are located between the inorganic species. The cohesion and stability of the crystal structure is maintained thanks to N–H…Cl hydrogen bond and π–π stacking interactions between neighboring aromatic cations. The intermolecular interactions in the crystal framework were analyzed by Hirshfeld surface and two-dimensional (2D) fingerprint plots. The 13C and 15N CP-MAS NMR spectra are discussed and the vibrational absorption bands were identified by infrared spectroscopy. The title compound exhibited two fluorescence emissions at 310 and 617 nm in the solid state at room temperature. The theoretical computation was made by using the DFT method. Finally, the thermal behavior revealed that this compound is stable until 456 K.

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References

  1. C. Sanchez, B. Julian, P. Belleville, and M. Popall (2005). J. Mater. Chem. 15, 3559.

    Article  CAS  Google Scholar 

  2. P. Gomez-Romero (2001). J. Adv. Mater. 13, 163.

    Article  CAS  Google Scholar 

  3. F. Mammeri, E. Le Bourhis, L. Rozes, and C. Sanchez (2005). J. Mater. Chem. 15, 3787.

    Article  CAS  Google Scholar 

  4. B. Lebeau, C. Sanchez, and C. Opin (1999). Solid State Mater. 4, 11.

    Article  CAS  Google Scholar 

  5. C. Sanchez and B. Lebeau (2001). Mater. Res. Soc. Bull. 26, 377.

    Article  CAS  Google Scholar 

  6. C. Sanchez, B. Lebeau, F. Chaput, and J. P. Boilot (2003). Adv. Mater. 15, 1969.

    Article  CAS  Google Scholar 

  7. F. Garnier, R. Hajlaoui, A. Yassar, and P. Srivastava (1994). Sci. 265, 1684.

    Article  CAS  Google Scholar 

  8. S. F. Nelson, Y. Y. Lin, D. J. Gundlach, and T. N. Jackson (1998). Appl. Phys. Lett. 72, 1854.

    Article  CAS  Google Scholar 

  9. R. Yadav, D. Swain, P. P. Kundu, H. S. Nair, C. Narayana, and E. Suja (2015). Phys. Chem. 17, 12207.

    CAS  Google Scholar 

  10. D. B. Mitzi, K. Chondroudis, and C. R. Kagan (2001). J. Res. Dev. 45, 29.

    CAS  Google Scholar 

  11. I. Chaabane, F. Hlel, and K. Guidara (2008). J. Alloys Compd. 461, 495.

    Article  CAS  Google Scholar 

  12. P. Szklarz, R. Jakubas, G. Bator, T. Lis, V. Kinzhybalo, and J. Baran (2007). J. Phys. Chem. Solids 68, 2303.

    Article  CAS  Google Scholar 

  13. L. G. Marzilli, T. J. Kistenmacher, and G. L. Eichhorn (1980). Met. Ions Biol. 1, 179.

    CAS  Google Scholar 

  14. H. Strasdeit, W. Saak, S. Pohl, W. L. Driessen, and J. Reedijk (1988). Inorg. Chem. 27, 1557.

    Article  CAS  Google Scholar 

  15. C. E. Costin-Hogan, C. L. Chen, E. Hughes, A. Pickett, R. Valencia, N. P. Rath, and A. M. Beatty (2008). Cryst. Eng. Comm. 10, 1910.

    Article  CAS  Google Scholar 

  16. A. Thorn, R. D. Willett, and B. Twamley (2005). Cryst. Growth Des. 5, 673.

    Article  CAS  Google Scholar 

  17. K. Chu, Y. H. Zhou, J. L. Song, and C. Zhang (2017). Polyhedron 131, 22.

    Article  CAS  Google Scholar 

  18. S. Soudani, J. X. Mi, F. Lefebvre, C. Jelsh, and C. Ben Nasr (2015). J. Mol. Struct. 1084, 46.

    Article  CAS  Google Scholar 

  19. Y. Jin, C. H. Yu, and W. Zhang (2014). J. Coord. Chem. 67, 1156.

    Article  CAS  Google Scholar 

  20. H. Kchaou, K. Karoui, and A. Ben Rhaiem (2017). Phys. E 85, 308.

    Article  CAS  Google Scholar 

  21. A. C. Dhieb, A. Valkonen, M. Rzaigui, and W. Smirani (2015). J. Mol. Struct. 1102, 50.

    Article  CAS  Google Scholar 

  22. D. Sun, N. Zhang, R. B. Huang, and L. S. Zheng (2010). Cryst. Growth. Des. 10, 3699.

    Article  CAS  Google Scholar 

  23. M. E. Vaschetto, B. A. Retamal, and A. P. Monkman (1999). J. Mol. Struct. 468, 209.

    Article  CAS  Google Scholar 

  24. S. BelhajSalah, M. S. M. Abdelbaky, S. García-Granda, K. Essalah, C. Ben Nasr, and M. L. Mrad (2018). J. Mol. Struct. 1152, 276.

    Article  CAS  Google Scholar 

  25. G. M. Sheldrick (2007). Acta Cryst. A 64, 112.

    Article  Google Scholar 

  26. L. J. Farrugia (1999). J. Appl. Crystallogr. A 32, 837.

    Article  CAS  Google Scholar 

  27. K. Brandenburg (1998). DIAMOND Version 2.0.

  28. C. F. Macrae, P. R. Edgington, P. McCabe, E. Pidcock, G. P. Shields, R. Taylor, M. Towler, and J. Van de Streek (2006). J. Appl. Crystallogr. 39, 453.

    Article  CAS  Google Scholar 

  29. S. K. Wolff, D. J. Grimwood, J. J. McKinnon, D. Jayatilaka, M. A. Spackman (2007). Crystal Explorer, Version 1.5, University of Western Australia, Perth, Australia.

  30. M. Rademeyer, A. Lemmerer, and D. G. Billing (2007). Acta Cryst. C 63, m101.

    Article  Google Scholar 

  31. A. Harchani, A. D. Price, C. E. Botez, and A. Haddad (2019). J. Mol. Struct. 1179, 33.

    Article  CAS  Google Scholar 

  32. T. Rong (2011). Acta Cryst. E 67, 1139.

    Article  Google Scholar 

  33. W. Baur (1974). Acta Cryst. B 30, 1195.

    Article  CAS  Google Scholar 

  34. M. M. Radanović, M. V. Rodić, L. S. Vojinović-Ješić, S. Armaković, S. J. Armaković, and V. M. Leovac (2018). Inorg. Chim. Acta 473, 160.

    Article  Google Scholar 

  35. S. Alvarez and M. Llunell (2000). J. Chem. Soc. 19, 3288.

    Google Scholar 

  36. O. Amri, S. Abid, and M. Rzaigui (2008). J. X-ray Struct. Anal. Online 24, 277.

    Article  Google Scholar 

  37. W. Smirani and M. Rzaigui (2009). E. J. Chem. 6, 569.

    Article  CAS  Google Scholar 

  38. C. Janiak (2000). J. Chem. Soc, Dalton Trans. 3885.

  39. A. Jellibi, I. Chaabane, and K. Guidara (2015). Polyhedron 88, 11.

    Article  CAS  Google Scholar 

  40. I. D. Brown and D. Altermatt (1985). Acta Cryst. B 41, 244.

    Article  Google Scholar 

  41. I. Feddaoui, M. S. M. Abdelbaky, S. García-Granda, K. Essalah, C. Ben Nasr, and M. L. Mrad (2019). J. Mol. Struct. 1186, 31.

    Article  CAS  Google Scholar 

  42. M. A. Spackman and D. Jayatilaka (2009). Cryst. Eng. Comm. 11, 19.

    Article  CAS  Google Scholar 

  43. M. A. Spackman and J. J. Micknnon (2002). Cryst. Eng. Comm. 4, 378.

    Article  CAS  Google Scholar 

  44. J. J. Micknnon, D. Jayatilaka, and M. A. Spackman (2007). Chem. Commun. 37, 3814.

    Article  Google Scholar 

  45. S. K. Seth (2018). Acta Cryst. E 74, 600.

    Article  CAS  Google Scholar 

  46. F. Issaoui, W. Amamou, M. Bekri, F. Zouari, E. Dhahri, and M. A. Valente (2019). J. Mol. Struct. 1189, 175.

    Article  CAS  Google Scholar 

  47. M. Mathlouthi, A. Valkonen, M. Rzaigui, and W. Smirani (2016). Phase Transit. 90, 399.

    Article  Google Scholar 

  48. P. F. Rapheal, E. Manoj, and M. R. P. Kurup (2007). Polyhedron 26, 818.

    Article  CAS  Google Scholar 

  49. B. J. Hathaway (1987). in Comprehensive Coordination Chemistry, ed. G. Wilkinson, Pergamon, Oxford. 5, 533.

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Acknowledgements

The Secretary of State for Scientific Research and Technology of Tunisia and College of Sciences and Humanities, Shaqra University, 11911, Ad-Dawadmi, Saudi Arabia are acknowledged.

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Authors and Affiliations

  1. Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, Université de Carthage, 7021, Jarzouna, Tunisia

    Chaima Gharbi, Cherif Ben Nasr & Mohamed Habib Mrad

  2. Department of Chemistry, College of Sciences and Humanities, Shaqra University, Ad-Dawadmi, 11911, Saudi Arabia

    Abdullah A. Alotaibi & Mohamed Habib Mrad

  3. Laboratoire de Chimie Organométallique de Surface (LCOMS), Ecole Supérieure de Chimie Physique Electronique, 69626, Villeurbanne Cedex, France

    Christine Lucas & Frédéric Lefebvre

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  1. Chaima Gharbi
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  2. Abdullah A. Alotaibi
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  3. Christine Lucas
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  4. Frédéric Lefebvre
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  5. Cherif Ben Nasr
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Correspondence to Cherif Ben Nasr.

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Gharbi, C., Alotaibi, A.A., Lucas, C. et al. Elaboration, Crystal Structure, Physicochemical Characterization and DFT Theoretical Calculation of a New Cd(II) Complex [C9H14N]2CdCl4. J Clust Sci 33, 697–705 (2022). https://doi.org/10.1007/s10876-021-02008-5

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  • DOI: https://doi.org/10.1007/s10876-021-02008-5

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