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Spectral studies and crystal structures of molybdenum(VI) complexes containing pyridine or picoline as auxiliary ligands: interaction energy calculations and free radical scavenging studies

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Abstract

Three cis-MoO2 complexes [MoO2(CAB)(py)] (1), [MoO2(CAB)(3-pic)] (2) and [MoO2(CAB)(4-pic)] (3) which vary in the nature of the heterocyclic bases in the auxiliary coordination site derived from an ONO donor aroylhydrazone (H2CAB) have been synthesized and characterized by various physicochemical methods. The single-crystal X-ray diffraction studies reveal that the complexes adopt a distorted octahedral N2O4 coordination sphere around the Mo(VI) center in which the ONO donor atoms of hydrazone moiety and one oxido oxygen constitute the NO3 basal plane and the axial position by the other oxido oxygen and nitrogen atom of coordinated pyridine molecule in [MoO2(CAB)(py)] (1) or picoline molecule in [MoO2(CAB)(3-pic)] (2) and [MoO2(CAB)(4-pic)] (3). The hydrogen bonding interaction generates a two-dimensional supramolecular sheet-like architecture in [MoO2(CAB)(py)] (1) and [MoO2(CAB)(3-pic)] (2), whereas a three-dimensional network was observed in [MoO2(CAB)(4-pic)] (3). The interaction energy calculations reveal that the dispersion energy component dominates over other components and [MoO2(CAB)(3-pic)] (2) is found to be energetically more stable. Furthermore, the aroylhydrazone shows free radical scavenging activity, whereas the complexes are inactive.

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Acknowledgements

DK thanks the University Grants Commission, New Delhi, India, for the award of a Senior Research Fellowship (F.17-45/2008(SA-1) dated 11.08.2014). The authors are thankful to the Sophisticated Analytical Instrumentation Facility, Cochin University of Science and Technology, Kochi, India, for elemental analyses, 1H-NMR spectra and single-crystal X-ray diffraction measurements.

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Authors and Affiliations

  1. Department of Applied Chemistry, Cochin University of Science and Technology, Kochi, Kerala, 682 022, India

    Daly Kuriakose & M. R. Prathapachandra Kurup

  2. Department of Chemistry, School of Physical Sciences, Central University of Kerala, Tejaswini Hills, Periye, Kasaragod, Kerala, 671 320, India

    M. R. Prathapachandra Kurup

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  1. Daly Kuriakose
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Kuriakose, D., Kurup, M.R.P. Spectral studies and crystal structures of molybdenum(VI) complexes containing pyridine or picoline as auxiliary ligands: interaction energy calculations and free radical scavenging studies. Transit Met Chem 46, 241–253 (2021). https://doi.org/10.1007/s11243-020-00440-6

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