• Deepti Mishra

      Articles written in Journal of Chemical Sciences

    • Isolation of alkali and alkaline earth metal complexes by diethylene glycol dibenzoate

      Deepti Mishra Uma Sharma

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      Complexes of lithium, sodium, potassium, magnesium and calcium were isolated by diethylene glycol dibenzoate in different organic solvents. Picrate, dinitrophenolate and orthonitrophenolate were used as anions. Stoichiometries of isolated complexes are 1:1 for alkali metal and 1:2 for alkaline earth metal complexes. Shifts in the characteristic frequencies of ligand molecule were observed in IR and1H NMR spectra of complexes

    • Role of substituents on the reactivity and electron density profile of diimine ligands: A density functional theory based study

      Bhakti S Kulkarni Deepti Mishra Sourav Pal

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      In this paper, we study the reactivity of diimines like 2, 2'-bipyridine, 1, l0-phenanthroline and 1, 2, 4-triazines using density-based reactivity descriptors. We discuss the enhancement or diminution in the reactivity of these ligands as a function of two substituent groups, namely methyl (-CH3) group and phenyl (-C6H5) group. The global reactivity descriptors explain the global affinity and philicity of these ligands, whereas the local softness depicts the particular site selectivity. The inter-molecular reactivity trends for the same systems are analysed through the philicity and group philicity indices. The 𝜎-donor character of these ligands is quantified with the help of electron density profile. In addition, the possible strength of interaction of these ligands with metal ions is supported with actual reaction energies of Ru-L complexes.

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