Issue

Vol. 36 No. 7 (2024): Vol 36 Issue 7, 2024

Copyright (c) 2024 Dr Brahamdutt Arya

Creative Commons License

This work is licensed under a Creative Commons Attribution 4.0 International License.

Thermodynamic and Global Reactivity Parameter Indices for Catechol Based Dipodal Complex with Trivalent Heavy Metal Ions

https://doi.org/10.14233/ajchem.2024.31621
Amardeep
Department of Chemistry, Baba Mastnath University, Rohtak-124021, India
Vijay Dangi
Department of Chemistry, Baba Mastnath University, Rohtak-124021, India
https://orcid.org/0000-0002-1343-6845
Pramod Kumar
Department of Chemistry, Baba Mastnath University, Rohtak-124021, India
Meenakshi
Department of Chemistry, Baba Mastnath University, Rohtak-124021, India
Minati Baral
Department of Chemistry, National Institute of Technology, Kurukshetra-136119, India
https://orcid.org/0000-0002-0526-959X
Taruna Sheoran
Department of Bio and Nano Technology, Guru Jambheshwar University of Science and Technology, Hisar-125001, India
Brahamdutt Arya
Department of Higher Education, Shiksha Sadan, Sector-5, Panchkula-134114, India; Y & Y Nanotech Solutions Private Limited, Rohtak-124001, India
https://orcid.org/0000-0002-8264-690X

Corresponding Author(s) : Brahamdutt Arya

brahm.chem@gmail.com

Asian Journal of Chemistry, Vol. 36 No. 7 (2024): Vol 36 Issue 7, 2024

Abstract

Heavy metal ions are of major concern due to their potential toxicity to humans and environment. Schiff base biomimetic ligands have shown immense potential to mitigate the heavy metal ions toxicity. In present study, the thermodynamic and stability parameters for catechol based Schiff base ligand MEC–trivalent metal ions (Al3+, Cr3+ and Fe3+) complexes (where MEC = N1,N3-bis(2-(((Z)-2,3-dihydroxybenzylidene)amino)ethyl)malonamide) were investigated using DFT and TD-DFT approaches. Further, in order to propose the involvement of these metal-ligand complexes in various applications, the conceptual density functional theory analysis were also conducted.

Keywords

DFT Schiff base Conceptual DFT Catechol Heavy metal Toxicity Remediation
Amardeep, Dangi, V., Kumar, P., Meenakshi, Baral, M., Sheoran, T., & Arya, B. (2024). Thermodynamic and Global Reactivity Parameter Indices for Catechol Based Dipodal Complex with Trivalent Heavy Metal Ions. Asian Journal of Chemistry, 36(7), 1530–1536. https://doi.org/10.14233/ajchem.2024.31621
Download Citation
Endnote/Zotero/Mendeley (RIS)
BibTeX
References
  1. M.K. Abd Elnabi, N.E. Elkaliny, M.M. Elyazied, S.H. Azab, S.A. Elkhalifa, S. Elmasry, M.S. Mouhamed, E.M. Shalamesh, N.A. Alhorieny, A.E. Abd Elaty, I.M. Elgendy, A.E. Etman, K.E. Saad, K. Tsigkou, S.S. Ali, M. Kornaros and Y.A.-G. Mahmoud, Toxics, 11, 580 (2023); https://doi.org/10.3390/toxics11070580
  2. M. Balali-Mood, K. Naseri, Z. Tahergorabi, M.R. Khazdair and M. Sadeghi, Front. Pharmacol., 12, 643972 (2021); https://doi.org/10.3389/fphar.2021.643972
  3. T. Arao, S. Ishikawa, M. Murakami, K. Abe, Y. Maejima and T. Makino, Paddy Water Environ., 8, 247 (2010); https://doi.org/10.1007/s10333-010-0205-7
  4. J.W. Eaton and M. Qian, Free Radic. Biol. Med., 32, 833 (2002); https://doi.org/10.1016/S0891-5849(02)00772-4
  5. G. Papanikolaou and K. Pantopoulos, Toxicol. Appl. Pharmacol., 202, 199 (2005); https://doi.org/10.1016/j.taap.2004.06.021
  6. R.M. Saaltink, S.C. Dekker, M.B. Eppinga, J. Griffioen and M.J. Wassen, Plant Soil, 416, 83 (2017); https://doi.org/10.1007/s11104-017-3190-4
  7. C. Exley, Morphologie, 100, 51 (2016); https://doi.org/10.1016/j.morpho.2015.12.003
  8. M. Closset, K. Cailliau, S. Slaby and M. Marin, Int. J. Mol. Sci., 23, 31 (2021); https://doi.org/10.3390/ijms23010031
  9. R.W. Gensemer and R.C. Playle, Crit. Rev. Environ. Sci. Technol., 29, 315 (1999); https://doi.org/10.1080/10643389991259245
  10. M. Costa and C.B. Klein, Crit. Rev. Toxicol., 36, 155 (2006); https://doi.org/10.1080/10408440500534032
  11. S.R. Shelnutt, P. Goad and D.V. Belsito, Crit. Rev. Toxicol., 37, 375 (2007); https://doi.org/10.1080/10408440701266582
  12. M. Jaishankar, T. Tseten, N. Anbalagan, B.B. Mathew and K.N. Beeregowda, Interdiscip. Toxicol., 7, 60 (2014); https://doi.org/10.2478/intox-2014-0009
  13. M.S. More, P.G. Joshi, Y.K. Mishra and P.K. Khanna, Mater. Today Chem., 14, 100195 (2019); https://doi.org/10.1016/j.mtchem.2019.100195
  14. L.H. Abdel-Rahman, M.T. Basha, B.S. Al-Farhan, W. Alharbi, M.R. Shehata, N.O. Al Zamil and D. Abou El-ezz, Molecules, 28, 4777 (2023); https://doi.org/10.3390/molecules28124777
  15. A. Amardeep, V. Dangi, P. Kumar, M. Meenakshi, M. Baral, B. Arya and T. Sheoran, Orient. J. Chem., 40, 274 (2024); https://doi.org/10.13005/ojc/400133
  16. B.J. Duke and B. O’Leary, J. Chem. Educ., 69, 529 (1992); https://doi.org/10.1021/ed069p529
  17. Y.C. Xu, N. Li, X. Yan and H.X. Zou, Environ. Sci. Pollut. Res. Int., 30, 91780 (2023); https://doi.org/10.1007/s11356-023-28854-6
  18. R. Pal and P.K. Chattaraj, J. Indian Chem. Soc., 98, 100008 (2021); https://doi.org/10.1016/j.jics.2021.100008
  19. J. Yu, N.Q. Su and W. Yang, JACS Au, 2, 1383 (2022); https://doi.org/10.1021/jacsau.2c00085
  20. C.G. Zhan, J.A. Nichols and D.A. Dixon, J. Phys. Chem. A, 107, 4184 (2003); https://doi.org/10.1021/jp0225774
  21. R. Shankar, K. Senthilkumar and P. Kolandaivel, Int. J. Quantum Chem., 109, 764 (2009); https://doi.org/10.1002/qua.21883
  22. J.L. Gázquez, in eds.: K.D. Sen, Hardness and Softness in Density Functional Theory, In: Chemical Hardness. Structure and Bonding, Springer-Verlag: Berlin/Heidelberg, vol. 80, pp. 27-43 (1993).
  23. H. Xu, D.C. Xu and Y. Wang, ACS Omega, 2, 7185 (2017); https://doi.org/10.1021/acsomega.7b01039
  24. M. Franco-Pérez and J.L. Gázquez, J. Phys. Chem. A, 123, 10065 (2019); https://doi.org/10.1021/acs.jpca.9b07468
  25. P.W. Ayers, M. Mohamed and F. Heidar-Zadeh, in eds.: S. Liu, The Hard/Soft Acid/Base Rule: A Perspective from Conceptual Density Functional Theory, In: Conceptual Density Functional Theory: Towards a New Chemical Reactivity Theory,Wiley; vol. 2, pp. 263–279 (2022).
  26. L. Domingo, M. Ríos-Gutiérrez and P. Pérez, Molecules, 21, 748 (2016); https://doi.org/10.3390/molecules21060748
  27. D. Chakraborty and P.K. Chattaraj, Chem. Sci., 12, 6264 (2021); https://doi.org/10.1039/D0SC07017C
  28. P.V. Bernhardt and P. Comba, Inorg. Chem., 31, 2638 (1992); https://doi.org/10.1021/ic00038a060
  29. W. Wang, J. Zhu, Q. Huang, L. Zhu, D. Wang, W. Li and W. Yu, Molecules, 29, 308 (2024); https://doi.org/10.3390/molecules29020308
  30. R.E. Aderne, B.G.A.L. Borges, H.C. Ávila, F. Von Kieseritzky, J. Hellberg, M. Koehler, M. Cremona, L.S. Roman, C.M. Araujo, M.L.M. Rocco and C.F.N. Marchiori, Mater. Adv., 3, 1791 (2022); https://doi.org/10.1039/D1MA00652E
  31. L. Domingo, Molecules, 21, 1319 (2016); https://doi.org/10.3390/molecules21101319
  32. R.D. Hancock, Acc. Chem. Res., 23, 253 (1990); https://doi.org/10.1021/ar00176a003
  33. R.J. Bartlett, I. Grabowski, S. Hirata and S. Ivanov, J. Chem. Phys., 122, 034104 (2005); https://doi.org/10.1063/1.1809605
  34. P. Pérez, L.R. Domingo, A. Aizman and R. Contreras, Theor. Comput. Chem., 19, 139 (2007); https://doi.org/10.1016/S1380-7323(07)80010-0
  35. A. Daolio, A. Pizzi, M. Calabrese, G. Terraneo, S. Bordignon, A. Frontera and G. Resnati, Angew. Chem. Int. Ed., 60, 20723 (2021); https://doi.org/10.1002/anie.202107978
  36. S. Kenouche, C. Sandoval-Yañez and J.I. Martínez-Araya, Chem. Phys. Lett., 801, 139708 (2022); https://doi.org/10.1016/j.cplett.2022.139708
Read More
Author biographies is not available.
Statistic
Read Counter : 0 Download : 0