SYNTHESIS, CHARACTERIZATION, THEORETICAL AND BIOLOGICAL STUDIES OF A NEW MACROCYCLE SCHIFF BASE WHITH Co(II), Ni(II), Cu(II) AND Zn(II) COMPLEXES

ABSTRACT A new macrocycle Schiff base, by the reaction between benzene-1,2-diamine and 3-bromo-pentane-2,4-dione, is introduced and a series of its complexes with Co(II), Ni(II), Cu(II) and Zn(II) have been synthesized. FTIR, 1H and 13C NMR, and TGA, also biological activities of all complexes and t...

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Autores principales:	SOLEIMANI,ESMAIEL, TAHERI,SAYED ALI NAGHI, SARGOLZAEI,MOHSEN
Lenguaje:	English
Publicado:	Sociedad Chilena de Química 2017
Materias:	Macrocycle Schiff base DFT calculations thermal analysis molecular modeling antibacterial activity
Acceso en línea:	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072017000403731
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spelling	oai:scielo:S0717-970720170004037312018-04-02SYNTHESIS, CHARACTERIZATION, THEORETICAL AND BIOLOGICAL STUDIES OF A NEW MACROCYCLE SCHIFF BASE WHITH Co(II), Ni(II), Cu(II) AND Zn(II) COMPLEXESSOLEIMANI,ESMAIELTAHERI,SAYED ALI NAGHISARGOLZAEI,MOHSEN Macrocycle Schiff base DFT calculations thermal analysis molecular modeling antibacterial activity ABSTRACT A new macrocycle Schiff base, by the reaction between benzene-1,2-diamine and 3-bromo-pentane-2,4-dione, is introduced and a series of its complexes with Co(II), Ni(II), Cu(II) and Zn(II) have been synthesized. FTIR, 1H and 13C NMR, and TGA, also biological activities of all complexes and the electronic spectral data have been investigated. The results show that there are no water molecules, also that macrocycle Schiff base is bonded to the metal ions through nitrogen atoms of four azomethine groups via an octahedral arrangement containing N4 tetra-dentate donor sites on planar and two Cl atoms occupying the other two opposed sites. The corresponding Cu(II) and Zn(II) complexes showed good antibacterial and antifungal activities. The molecular geometry, frontier molecular orbitals and Mulliken atomic charge of the compounds are investigated theoretically using DFT method.info:eu-repo/semantics/openAccessSociedad Chilena de QuímicaJournal of the Chilean Chemical Society v.62 n.4 20172017-12-01text/htmlhttp://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072017000403731en10.4067/s0717-97072017000403731
institution	Scielo Chile
collection	Scielo Chile
language	English
topic	Macrocycle Schiff base DFT calculations thermal analysis molecular modeling antibacterial activity
spellingShingle	Macrocycle Schiff base DFT calculations thermal analysis molecular modeling antibacterial activity SOLEIMANI,ESMAIEL TAHERI,SAYED ALI NAGHI SARGOLZAEI,MOHSEN SYNTHESIS, CHARACTERIZATION, THEORETICAL AND BIOLOGICAL STUDIES OF A NEW MACROCYCLE SCHIFF BASE WHITH Co(II), Ni(II), Cu(II) AND Zn(II) COMPLEXES
description	ABSTRACT A new macrocycle Schiff base, by the reaction between benzene-1,2-diamine and 3-bromo-pentane-2,4-dione, is introduced and a series of its complexes with Co(II), Ni(II), Cu(II) and Zn(II) have been synthesized. FTIR, 1H and 13C NMR, and TGA, also biological activities of all complexes and the electronic spectral data have been investigated. The results show that there are no water molecules, also that macrocycle Schiff base is bonded to the metal ions through nitrogen atoms of four azomethine groups via an octahedral arrangement containing N4 tetra-dentate donor sites on planar and two Cl atoms occupying the other two opposed sites. The corresponding Cu(II) and Zn(II) complexes showed good antibacterial and antifungal activities. The molecular geometry, frontier molecular orbitals and Mulliken atomic charge of the compounds are investigated theoretically using DFT method.
author	SOLEIMANI,ESMAIEL TAHERI,SAYED ALI NAGHI SARGOLZAEI,MOHSEN
author_facet	SOLEIMANI,ESMAIEL TAHERI,SAYED ALI NAGHI SARGOLZAEI,MOHSEN
author_sort	SOLEIMANI,ESMAIEL
title	SYNTHESIS, CHARACTERIZATION, THEORETICAL AND BIOLOGICAL STUDIES OF A NEW MACROCYCLE SCHIFF BASE WHITH Co(II), Ni(II), Cu(II) AND Zn(II) COMPLEXES
title_short	SYNTHESIS, CHARACTERIZATION, THEORETICAL AND BIOLOGICAL STUDIES OF A NEW MACROCYCLE SCHIFF BASE WHITH Co(II), Ni(II), Cu(II) AND Zn(II) COMPLEXES
title_full	SYNTHESIS, CHARACTERIZATION, THEORETICAL AND BIOLOGICAL STUDIES OF A NEW MACROCYCLE SCHIFF BASE WHITH Co(II), Ni(II), Cu(II) AND Zn(II) COMPLEXES
title_fullStr	SYNTHESIS, CHARACTERIZATION, THEORETICAL AND BIOLOGICAL STUDIES OF A NEW MACROCYCLE SCHIFF BASE WHITH Co(II), Ni(II), Cu(II) AND Zn(II) COMPLEXES
title_full_unstemmed	SYNTHESIS, CHARACTERIZATION, THEORETICAL AND BIOLOGICAL STUDIES OF A NEW MACROCYCLE SCHIFF BASE WHITH Co(II), Ni(II), Cu(II) AND Zn(II) COMPLEXES
title_sort	synthesis, characterization, theoretical and biological studies of a new macrocycle schiff base whith co(ii), ni(ii), cu(ii) and zn(ii) complexes
publisher	Sociedad Chilena de Química
publishDate	2017
url	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072017000403731
work_keys_str_mv	AT soleimaniesmaiel synthesischaracterizationtheoreticalandbiologicalstudiesofanewmacrocycleschiffbasewhithcoiiniiicuiiandzniicomplexes AT taherisayedalinaghi synthesischaracterizationtheoreticalandbiologicalstudiesofanewmacrocycleschiffbasewhithcoiiniiicuiiandzniicomplexes AT sargolzaeimohsen synthesischaracterizationtheoreticalandbiologicalstudiesofanewmacrocycleschiffbasewhithcoiiniiicuiiandzniicomplexes
_version_	1714200918854991872

SYNTHESIS, CHARACTERIZATION, THEORETICAL AND BIOLOGICAL STUDIES OF A NEW MACROCYCLE SCHIFF BASE WHITH Co(II), Ni(II), Cu(II) AND Zn(II) COMPLEXES

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