Tetranuclear manganese(II) complexes of hydrazone and carbohydrazone ligands: Synthesis, crystal structures, magnetic properties, Hirshfeld surface analysis and DFT calculations

Abedi M., YEŞİLEL O. Z., Mahmoudi G., Bauza A., Lofland S. E., YERLİ Y., ...Daha Fazla

INORGANICA CHIMICA ACTA, cilt.443, ss.101-109, 2016 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 443
  • Basım Tarihi: 2016
  • Doi Numarası: 10.1016/j.ica.2015.12.012
  • Dergi Adı: INORGANICA CHIMICA ACTA
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.101-109
  • Eskişehir Osmangazi Üniversitesi Adresli: Evet

Özet

The complexes [Mn-4(L1)(4)(N-3)(4)] (1), [Mn-4(L2)(4)(mu-N-3)(2)(N-3)(2)(OCH3)(2)] (2) and [Mn-4(mu-L3)(4)(NCS)(4)]center dot 6CH(3)OH (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 d(norm) and shape-index functions). Quantitative examination of 2D fingerprint plots revealed, amongst others, the dominating participation of H center dot center dot center dot H and H center dot center dot center dot C interactions in the molecular packing. (C) 2015 Elsevier B.V. All rights reserved.