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 . .