Theoretical and experimental studies on three new coordination complexes of Co(II), Ni(II), and Cu(II) with 2,4-dichloro-6-{(E)-[(5-chloro-2 sulfanylphenyl)imino]methyl}phenol Schiff base ligand
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| 024 | 7 | 0 | |a 10.1007/s00894-015-2805-z |2 doi |
| 035 | |a (NATIONALLICENCE)springer-10.1007/s00894-015-2805-z | ||
| 245 | 0 | 0 | |a Theoretical and experimental studies on three new coordination complexes of Co(II), Ni(II), and Cu(II) with 2,4-dichloro-6-{(E)-[(5-chloro-2 sulfanylphenyl)imino]methyl}phenol Schiff base ligand |h [Elektronische Daten] |c [Brajendra Kusmariya, A. Mishra] |
| 520 | 3 | |a Three mononuclear coordination complexes of Co(II), Ni(II), and Cu(II) have been synthesized from 2,4-dichloro-6-{(E)-[(5-chloro-2-sulfanylphenyl)imino]methyl}phenol ligand (H 2 L) obtained by simple condensation reaction of 3,5-dichloro-2-hydroxybenzaldehyde and 2-amino-4-chlorobenzenethiol and characterized by elemental analysis, spectral (FT-IR, electronic, and 1H-NMR), molar conductance, thermal, SEM, PXRD, and fluorescence studies. The PXRD analysis and SEM-EDX micrographs show the crystalline nature of complexes. The domain size and the lattice strain of synthesized compounds have been determined according to Williamson-Hall plot. TG of the synthesized complexes illustrates the general decomposition pattern of the complexes. The ligand exhibits an interesting fluorescence property which is suppressed after complex formation. The Co(II) complex adopted a distorted octahedral configuration while Ni(II) and Cu(II) complexes showed square planar geometry around metal center. The geometry optimization, HOMO-LUMO, molecular electrostatic potential map (MEP), and spin density of synthesized compounds have been performed by density functional theory (DFT) method using B3LYP/6-31G and B3LYP/LANL2DZ as basis set. Graphical abstract Three new coordination complexes of Co(II), Ni(II) and Cu(II) with 2,4-dichloro-6-{(E)-[(5-chloro-2 sulfanylphenyl)imino]methyl}phenol Schiff base ligand. | |
| 540 | |a Springer-Verlag Berlin Heidelberg, 2015 | ||
| 690 | 7 | |a Fluorescence |2 nationallicence | |
| 690 | 7 | |a Schiff base complexes |2 nationallicence | |
| 690 | 7 | |a SEM and DFT |2 nationallicence | |
| 690 | 7 | |a Thermal studies |2 nationallicence | |
| 690 | 7 | |a XRD |2 nationallicence | |
| 700 | 1 | |a Kusmariya |D Brajendra |u Department of Chemistry, Dr. H. S. Gour Central University, 470003, Sagar, India |4 aut | |
| 700 | 1 | |a Mishra |D A. |u Department of Chemistry, Dr. H. S. Gour Central University, 470003, Sagar, India |4 aut | |
| 773 | 0 | |t Journal of Molecular Modeling |d Springer Berlin Heidelberg |g 21/11(2015-11-01), 1-14 |x 1610-2940 |q 21:11<1 |1 2015 |2 21 |o 894 | |
| 856 | 4 | 0 | |u https://doi.org/10.1007/s00894-015-2805-z |q text/html |z Onlinezugriff via DOI |
| 898 | |a BK010053 |b XK010053 |c XK010000 | ||
| 900 | 7 | |a Metadata rights reserved |b Springer special CC-BY-NC licence |2 nationallicence | |
| 908 | |D 1 |a research-article |2 jats | ||
| 949 | |B NATIONALLICENCE |F NATIONALLICENCE |b NL-springer | ||
| 950 | |B NATIONALLICENCE |P 856 |E 40 |u https://doi.org/10.1007/s00894-015-2805-z |q text/html |z Onlinezugriff via DOI | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Kusmariya |D Brajendra |u Department of Chemistry, Dr. H. S. Gour Central University, 470003, Sagar, India |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Mishra |D A. |u Department of Chemistry, Dr. H. S. Gour Central University, 470003, Sagar, India |4 aut | ||
| 950 | |B NATIONALLICENCE |P 773 |E 0- |t Journal of Molecular Modeling |d Springer Berlin Heidelberg |g 21/11(2015-11-01), 1-14 |x 1610-2940 |q 21:11<1 |1 2015 |2 21 |o 894 | ||