Dhrubajyoti Mondal

Indian Association for the Cultivation of Science, Kolkata, West Bengal, India

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Publications (2)9.59 Total impact

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    ABSTRACT: A new series of nonoxido vanadium(IV) compounds [VL2] (L = L(1)-L(3)) (1-3) have been synthesized using dithiocarbazate-based tridentate Schiff-base ligands H2L(1)-H2L(3), containing an appended phenol ring with a tert-butyl substitution at the 2-position. The compounds are characterized by X-ray diffraction analysis (1, 3), IR, UV-vis, EPR spectroscopy, and electrochemical methods. These are nonoxido V(IV) complexes that reveal a rare distorted trigonal prismatic arrangement around the "bare" vanadium centers. Concerning the ligand isomerism, the structure of 1 and 3 can be described as intermediate between mer and sym-fac isomers. DFT methods were used to predict the geometry, g and (51)V A tensors, electronic structure, and electronic absorption spectrum of compounds 1-3. Hyperfine coupling constants measured in the EPR spectra can be reproduced satisfactorily at the level of theory PBE0/VTZ, whereas the wavelength and intensity of the absorptions in the UV-vis spectra at the level CAM-B3LYP/gen, where "gen" is a general basis set obtained using 6-31+g(d) for S and 6-31g for all the other elements. The results suggest that the electronic structure of 1-3 can be described in terms of a mixing among V-dxy, V-dxz, and V-dyz orbitals in the singly occupied molecular orbital (SOMO), which causes a significant lowering of the absolute value of the (51)V hyperfine coupling constant along the x-axis. The cyclic voltammograms of these compounds in dichloroethane solution display three one-electron processes, two in the cathodic and one in the anodic potential range. Process A (E1/2 = +1.06 V) is due to the quasi-reversible V(IV/V) oxidation while process B at E1/2 = -0.085 V is due to the quasi-reversible V(IV/III) reduction, and the third one (process C) at a more negative potential E1/2 = -1.66 V is due to a ligand centered reduction, all potentials being measured vs Ag/AgCl reference.
    Inorganic Chemistry 06/2015; DOI:10.1021/acs.inorgchem.5b00359 · 4.79 Impact Factor
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    ABSTRACT: Heterobimetallic compounds [L(1)OV(V)═O→Fe(metsalophen)(H(2)O)] (1) and [L(2)OV(V)═O→Fe(metsalophen)(H(2)O)]CH(3)CN (2), where H(2)L(1) and H(2)L(2) are tridentate dithiocarbazate-based Schiff base ligands, containing a discrete V(V)-μ-O-Fe(III) angular core have been synthesized for the first time through a targeted synthesis route: confirmation in favor of such a heterobimetallic core structure has come from single-crystal X-ray diffraction analysis and electrospray ionization mass spectrometry.
    Inorganic Chemistry 07/2012; 51(14):7454-6. DOI:10.1021/ic301054r · 4.79 Impact Factor