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INTERNATIONAL JOURNAL OF NOVEL RESEARCH AND DEVELOPMENT International Peer Reviewed & Refereed Journals, Open Access Journal ISSN Approved Journal No: 2456-4184 | Impact factor: 8.76 | ESTD Year: 2016 Scholarly open access journals, Peer-reviewed, and Refereed Journals, Impact factor 8.76 (Calculate by google scholar and Semantic Scholar | AI-Powered Research Tool) , Multidisciplinary, Monthly, Indexing in all major database & Metadata, Citation Generator, Digital Object Identifier(DOI) |
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| Paper Title: | Synthesis, structural characterization and DFT studies of copper(II) complexes with tridentate Schiff bases |
| Authors Name: | Ajay Kumar Kamat , S. P. Rawat , Geetanjali Gatam |
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IJNRD_212539
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| Published Paper Id: | IJNRD2401194 |
| Published In: | Volume 9 Issue 1, January-2024 |
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| Abstract: | Two new synthesized Schiff bases (L4 and L5) were derived from the condensation reaction of 2-(methylthiomethyl)anilines and 4-methoxysalicylaldehyde. The complexes of these and four previously reported NOS Schiff bases, Cu(L1)2–Cu(L6)2, were synthesized via the reflux reaction of the various Schiff base ligands with CuCl2.2H2O. The compounds were characterized by means of elemental analysis, FTIR and UV-Vis. The crystal structures of Cu(L1)2 and Cu(L2)2 were obtained by X-ray diffraction. The Schiff bases were coordinated to copper ion as monobasic tridentate ligands through the phenolic oxygen, azomethine nitrogen and thioether sulfur. The microanalyses of the coordination complexes were agreeable with bimolar binding of the ligands to the copper metal ion. The crystal structures of the copper complexes confirmed an octahedral geometry around the metal centre and showed they are mononuclear. The magnetic moment values indicated the presence of a lone electron in each copper(II) orbital and confirmed the mononuclearity of the complexes. The electronic spectra of the coordination compounds consist of the intraligand, charge transfer and d→d bands. Molecular modeling studies on the complexes (Cu(L1)2–Cu(L6)2) by employing DFT revealed that complex Cu(L5)2 possessed the smallest optimization energy as well as a small HOMO−LUMO energy gap which may best explain its higher polarizability as well as reactivity in comparison to the other complexes. |
| Keywords: | NOS Schiff bases, copper(II) complexes, crystal structures, DFT calculations |
| Cite Article: | "Synthesis, structural characterization and DFT studies of copper(II) complexes with tridentate Schiff bases", International Journal of Novel Research and Development (www.ijnrd.org), ISSN:2456-4184, Vol.9, Issue 1, page no.b826-b839, January-2024, Available :http://www.ijnrd.org/papers/IJNRD2401194.pdf |
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2456-4184 | IMPACT FACTOR: 8.76 Calculated By Google Scholar| ESTD YEAR: 2016 An International Scholarly Open Access Journal, Peer-Reviewed, Refereed Journal Impact Factor 8.76 Calculate by Google Scholar and Semantic Scholar | AI-Powered Research Tool, Multidisciplinary, Monthly, Multilanguage Journal Indexing in All Major Database & Metadata, Citation Generator |
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Published Paper ID:IJNRD2401194 Registration ID: 212539 Published In: Volume 9 Issue 1, January-2024 DOI (Digital Object Identifier): Page No: b826-b839 Country: Rewa, M.P., India Research Area: Chemistry Publisher : IJ Publication Published Paper URL : https://www.ijnrd.org/viewpaperforall?paper=IJNRD2401194 Published Paper PDF: https://www.ijnrd.org/papers/IJNRD2401194 |
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ISSN: 2456-4184
Impact Factor: 8.76 and ISSN APPROVED
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