Spectral studies and crystal structures of molybdenum(VI) complexes containing pyridine or picoline as auxiliary ligands
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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 Daly Kuriakose1 · M. R. Prathapachandra Kurup1,2 Received: 17 September 2020 / Accepted: 4 November 2020 © Springer Nature Switzerland AG 2020
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 N O3 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.
Introduction Aroylhydrazones are well-established class of molecules with several possible structures including configurational isomers, viz. E and Z, around the imine (C=N) bond and amido/iminol tautomers. Due to the presence of multiple donor sites such as protonated/deprotonated amide oxygen, imine nitrogen and additional donor site (usually N or O) provided from the carbonyl compound, they exhibit diverse chelating modes with greater effects in a wide variety of fields [1–4]. The presence of the azomethine group (–NH–N=CH–) connected with carbonyl group makes them Electronic supplementary material The online version of this article (https://doi.org/10.1007/s11243-020-00440-6) contains supplementary material, which is available to authorized users. * M. R. Prathapachandra Kurup [email protected]; [email protected] 1
Department of Applied Chemistry, Cochin University of Science and Technology, Kochi, Kerala 682 022, India
Department of Chemistry, School of Physical Sciences, Central University of Kerala, Tejaswini Hills, Periye, Kasaragod, Kerala 671 320, India
2
responsible for different biological activities, such as antioxidant, anti-inflammatory, anti-hypertensive, antimicrobial and anticancer properties [5–10]. Among transition metals, the chemistry of molybdenum has become an important area due to its potential application in diverse fields [11–15]. Molybdenum complexes have a unique pla
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