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Synthesis, crystal structures and intermolecular interactions of two Mn(II) complexes with 4,4′-bipy and methyl benzoates

Authors
Journal
Journal of Molecular Structure
0022-2860
Publisher
Elsevier
Publication Date
Volume
1035
Identifiers
DOI: 10.1016/j.molstruc.2012.10.034
Keywords
  • Transition Metal Complexes
  • Crystal Structure
  • Methyl Benzoic Acid
  • 2D Ir Correlation Spectroscopy
Disciplines
  • Biology
  • Earth Science

Abstract

Abstract Two manganese complexes containing 4,4′-bipyridine and methyl benzoate as ligands have been prepared and crystallized by solvent evaporation method in DMF. The single crystal X-ray crystallographic analyses reveal that the complexes crystallize in monoclinic system. Crystal of 1 [Mn2(4,4′-bipy)2 (o-MBA)4]n has space group of P21/c with unit cell parameters of a=17.508(Å), b=11.6229(Å), c=27.983(Å), β=128.123°, V=4.4797nm3, empirical formula: C52H44Mn2N4O8, Mr=962.79, Z=4, Dc=1.428g/cm3, μ=0.625mm−1, and F(000)=1992. The crystal of 2 [Mn (4,4′-bipy)(m-MBA)2]n belongs to space group C2/c with a=16.079(Å), b=11.652(Å), c=24.887(Å), β=92.02°, V=4.660nm3, empirical formula: C26H22MnN2O4, Mr=481.40, Z=8, Dc=1.372g/cm3, μ=1.179mm−1, F(000)=1992. The weak interactions in structures are observed from the X-ray crystallographic data. These include the CH⋯O hydrogen bonds, π–π stacking and CH⋯π interactions found in 1. The different strength of intermolecular interaction in the structures is reflected on their different thermal stability of the two complexes measured by thermal gravimetric analysis and the 2D-IR correlation spectroscopy. The study of weak interactions is meaningful to provide supporting data for potential application in molecular biology.

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