TY  - JOUR
AU  - Abedi, Marjan
AU  - Butcher, Ray J.
AU  - Nasser Shamkhali, Amir
AU  - Spasojević, Vojislav
AU  - Al-Ameed, Karrar
AU  - Abedi, Parissa
PY  - 2021
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/9137
AB  - Synthesis, spectroscopic characterizations and single crystal X-ray structure of a new dinuclear Copper(II) complex of the form [Cu2L(µ-O-OAc)(OAc)2](PF6) are reported. The molecular structure of the complex indicates that acetate ions coordinate to metals in different types, as a unidentate ligand, as a chelating ligand and in arrangement involving chelation and bridging. The metal centers in this complex are five coordinated with two different geometries (trigonal bipyramid and square pyramidal). Magnetic measurements show the presence of a strong Cu–Cu antiferromagnetic interaction. Moreover, density functional theory (DFT) calculations were performed to deeper analysis of the structure and vibrational properties of the synthesized complex. An interesting result is failure of DFT and second order Møller-Plesset perturbation (MP2) methods for prediction of antiferromagnetic coupling in the synthesized complex which introduces its as a new challenging material for future computational chemistry investigations. © 2021 Elsevier B.V.
T2  - Inorganica Chimica Acta
T1  - Synthesis, structure, magnetic properties and DFT study of a dinuclear copper(II) macrocyclic complex containing acetate groups
VL  - 520
SP  - 120310
DO  - 10.1016/j.ica.2021.120310
ER  - 

@article{
author = "Abedi, Marjan and Butcher, Ray J. and Nasser Shamkhali, Amir and Spasojević, Vojislav and Al-Ameed, Karrar and Abedi, Parissa",
year = "2021",
abstract = "Synthesis, spectroscopic characterizations and single crystal X-ray structure of a new dinuclear Copper(II) complex of the form [Cu2L(µ-O-OAc)(OAc)2](PF6) are reported. The molecular structure of the complex indicates that acetate ions coordinate to metals in different types, as a unidentate ligand, as a chelating ligand and in arrangement involving chelation and bridging. The metal centers in this complex are five coordinated with two different geometries (trigonal bipyramid and square pyramidal). Magnetic measurements show the presence of a strong Cu–Cu antiferromagnetic interaction. Moreover, density functional theory (DFT) calculations were performed to deeper analysis of the structure and vibrational properties of the synthesized complex. An interesting result is failure of DFT and second order Møller-Plesset perturbation (MP2) methods for prediction of antiferromagnetic coupling in the synthesized complex which introduces its as a new challenging material for future computational chemistry investigations. © 2021 Elsevier B.V.",
journal = "Inorganica Chimica Acta",
title = "Synthesis, structure, magnetic properties and DFT study of a dinuclear copper(II) macrocyclic complex containing acetate groups",
volume = "520",
pages = "120310",
doi = "10.1016/j.ica.2021.120310"
}

Abedi, M., Butcher, R. J., Nasser Shamkhali, A., Spasojević, V., Al-Ameed, K.,& Abedi, P.. (2021). Synthesis, structure, magnetic properties and DFT study of a dinuclear copper(II) macrocyclic complex containing acetate groups. in Inorganica Chimica Acta, 520, 120310.
https://doi.org/10.1016/j.ica.2021.120310

Abedi M, Butcher RJ, Nasser Shamkhali A, Spasojević V, Al-Ameed K, Abedi P. Synthesis, structure, magnetic properties and DFT study of a dinuclear copper(II) macrocyclic complex containing acetate groups. in Inorganica Chimica Acta. 2021;520:120310.
doi:10.1016/j.ica.2021.120310 .

Abedi, Marjan, Butcher, Ray J., Nasser Shamkhali, Amir, Spasojević, Vojislav, Al-Ameed, Karrar, Abedi, Parissa, "Synthesis, structure, magnetic properties and DFT study of a dinuclear copper(II) macrocyclic complex containing acetate groups" in Inorganica Chimica Acta, 520 (2021):120310,
https://doi.org/10.1016/j.ica.2021.120310 . .

TY  - JOUR
AU  - Khandar, Ali Akbar
AU  - Kirschbaum, Kristin
AU  - Abedi, Marjan
AU  - Mock, Kristi
AU  - Tracy, Greg
AU  - Spasojević, Vojislav
AU  - Hosseini-Yazdi, Seyed Abolfazl
PY  - 2015
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/496
AB  - A new tetraaza macrocycle bearing two xylyl spacers was synthesized as a potential binucleating ligand (L) and the crystal structure of its tetrachloride salt was determined by single crystal X-ray diffraction analysis. Corresponding Co(II) complexes were isolated as both mono- and dinuclear complexes of [Co(H2L)Cl-2]Cl-2, [Co2LBr2OH]Br and [Co2LI2OH]I, and characterized using different physico-chemical techniques. The single crystal X- ray diffraction technique for [Co(H2L)Cl-2]Cl-2 and [Co2LI2OH]I indicates that the Co ions adopt the geometry of a distorted tetrahedron in a tetracoordinated environment. The two metal centers in the [Co2LI2OH]I complex are bridged by a hydroxyl group with Co center dot center dot center dot Co distance of 3.501(1) angstrom. The bromo- and iodo-complexes show antiferromagnetic behavior which can be described by spin only Hamiltonian while spin- orbital coupling for tetrahedral coordinating cobalt ions is very small.
T2  - New Journal of Chemistry
T1  - Synthesis, characterization and crystal structures of mono and dinuclear macrocyclic cobalt(II) complexes with a new tetraaza m-xylyl-based macrocyclic ligand
VL  - 39
IS  - 4
SP  - 2822
EP  - 2831
DO  - 10.1039/c4nj01608d
ER  - 

@article{
author = "Khandar, Ali Akbar and Kirschbaum, Kristin and Abedi, Marjan and Mock, Kristi and Tracy, Greg and Spasojević, Vojislav and Hosseini-Yazdi, Seyed Abolfazl",
year = "2015",
abstract = "A new tetraaza macrocycle bearing two xylyl spacers was synthesized as a potential binucleating ligand (L) and the crystal structure of its tetrachloride salt was determined by single crystal X-ray diffraction analysis. Corresponding Co(II) complexes were isolated as both mono- and dinuclear complexes of [Co(H2L)Cl-2]Cl-2, [Co2LBr2OH]Br and [Co2LI2OH]I, and characterized using different physico-chemical techniques. The single crystal X- ray diffraction technique for [Co(H2L)Cl-2]Cl-2 and [Co2LI2OH]I indicates that the Co ions adopt the geometry of a distorted tetrahedron in a tetracoordinated environment. The two metal centers in the [Co2LI2OH]I complex are bridged by a hydroxyl group with Co center dot center dot center dot Co distance of 3.501(1) angstrom. The bromo- and iodo-complexes show antiferromagnetic behavior which can be described by spin only Hamiltonian while spin- orbital coupling for tetrahedral coordinating cobalt ions is very small.",
journal = "New Journal of Chemistry",
title = "Synthesis, characterization and crystal structures of mono and dinuclear macrocyclic cobalt(II) complexes with a new tetraaza m-xylyl-based macrocyclic ligand",
volume = "39",
number = "4",
pages = "2822-2831",
doi = "10.1039/c4nj01608d"
}

Khandar, A. A., Kirschbaum, K., Abedi, M., Mock, K., Tracy, G., Spasojević, V.,& Hosseini-Yazdi, S. A.. (2015). Synthesis, characterization and crystal structures of mono and dinuclear macrocyclic cobalt(II) complexes with a new tetraaza m-xylyl-based macrocyclic ligand. in New Journal of Chemistry, 39(4), 2822-2831.
https://doi.org/10.1039/c4nj01608d

Khandar AA, Kirschbaum K, Abedi M, Mock K, Tracy G, Spasojević V, Hosseini-Yazdi SA. Synthesis, characterization and crystal structures of mono and dinuclear macrocyclic cobalt(II) complexes with a new tetraaza m-xylyl-based macrocyclic ligand. in New Journal of Chemistry. 2015;39(4):2822-2831.
doi:10.1039/c4nj01608d .

Khandar, Ali Akbar, Kirschbaum, Kristin, Abedi, Marjan, Mock, Kristi, Tracy, Greg, Spasojević, Vojislav, Hosseini-Yazdi, Seyed Abolfazl, "Synthesis, characterization and crystal structures of mono and dinuclear macrocyclic cobalt(II) complexes with a new tetraaza m-xylyl-based macrocyclic ligand" in New Journal of Chemistry, 39, no. 4 (2015):2822-2831,
https://doi.org/10.1039/c4nj01608d . .