TY - JOUR
T1 - Tetranuclear manganese(II) complexes of hydrazone and carbohydrazone ligands
T2 - Synthesis, crystal structures, magnetic properties, Hirshfeld surface analysis and DFT calculations
AU - Abedi, Marjan
AU - Yeşilel, Okan Zafer
AU - Mahmoudi, Ghodrat
AU - Bauzá, Antonio
AU - Lofland, Samuel E.
AU - Yerli, Yusuf
AU - Kaminsky, Werner
AU - Garczarek, Piotr
AU - Zaręba, Jan K.
AU - Ienco, Andrea
AU - Frontera, Antonio
AU - Gargari, Masoumeh Servati
N1 - Funding Information:
We are grateful to the Young Researchers and Elite Club and College of Sciences of the University of Mohaghegh Ardabili Research Council for the generous financial support of this research and AB and AF thank MINECO of Spain (projects CTQ2014-57393-C2-1-P and CSD2010-00065, FEDER funds) for financial support.
Publisher Copyright:
© 2015 Elsevier B.V. All rights reserved.
Copyright:
Copyright 2020 Elsevier B.V., All rights reserved.
PY - 2016/3/24
Y1 - 2016/3/24
N2 - The complexes [Mn4(L1)4(N3)4] (1), [Mn4(L2)4(μ-N3)2(N3)2(OCH3)2] (2) and [Mn4(μ-L3)4(NCS)4]·6CH3OH (3) [L1 = N-1-(pyridin-2-yl)ethylidenepicolinohydrazonate, L2 = N-phenyl(pyridin-2-yl)methylenepicolino hydrazonate, and L3 = ((phenyl(pyridin-2-yl)methylene)hydrazinyl)((Z)-2-(phenyl(pyridin-2-yl)methylene)hydrazinyl)methanolate] have been synthesized, and their structures characterized. The structures of 1 and 3 can be described as tetranuclear and are formed from four Mn(II) ions bridged by four ligands. Complex 2 exhibits a centrosymmetric tetranuclear structure with two types of Mn(II) centers with double end-on (EO) azido bridges. All the complexes have similar magnetic behavior and exhibit weak intramolecular antiferromagnetic coupling, which is consistent with the oxygen-bridged square structures with large Mn-O-Mn bridge angles. Theoretically obtained J values of -1.7 cm-1 (for 1), -0.7 cm-1 (for 2) and -3.3 cm-1 (for 3) corroborate well the experimental results. Moreover, a Hirshfeld surface (HS) analysis was employed to gain additional insight into interactions responsible for packing of complexes 1-3 (with dnorm and shape-index functions). Quantitative examination of 2D fingerprint plots revealed, amongst others, the dominating participation of H...H and H...C interactions in the molecular packing.
AB - The complexes [Mn4(L1)4(N3)4] (1), [Mn4(L2)4(μ-N3)2(N3)2(OCH3)2] (2) and [Mn4(μ-L3)4(NCS)4]·6CH3OH (3) [L1 = N-1-(pyridin-2-yl)ethylidenepicolinohydrazonate, L2 = N-phenyl(pyridin-2-yl)methylenepicolino hydrazonate, and L3 = ((phenyl(pyridin-2-yl)methylene)hydrazinyl)((Z)-2-(phenyl(pyridin-2-yl)methylene)hydrazinyl)methanolate] have been synthesized, and their structures characterized. The structures of 1 and 3 can be described as tetranuclear and are formed from four Mn(II) ions bridged by four ligands. Complex 2 exhibits a centrosymmetric tetranuclear structure with two types of Mn(II) centers with double end-on (EO) azido bridges. All the complexes have similar magnetic behavior and exhibit weak intramolecular antiferromagnetic coupling, which is consistent with the oxygen-bridged square structures with large Mn-O-Mn bridge angles. Theoretically obtained J values of -1.7 cm-1 (for 1), -0.7 cm-1 (for 2) and -3.3 cm-1 (for 3) corroborate well the experimental results. Moreover, a Hirshfeld surface (HS) analysis was employed to gain additional insight into interactions responsible for packing of complexes 1-3 (with dnorm and shape-index functions). Quantitative examination of 2D fingerprint plots revealed, amongst others, the dominating participation of H...H and H...C interactions in the molecular packing.
UR - http://www.scopus.com/inward/record.url?scp=84953438978&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84953438978&partnerID=8YFLogxK
U2 - 10.1016/j.ica.2015.12.012
DO - 10.1016/j.ica.2015.12.012
M3 - Article
AN - SCOPUS:84953438978
VL - 443
SP - 101
EP - 109
JO - Inorganica Chimica Acta
JF - Inorganica Chimica Acta
SN - 0020-1693
ER -