Rajadurai Vijay Solomon

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A series of surfactant-copper(II) Schiff base complexes (1-6) of the general formula, [Cu(sal-R2)2] and [Cu(5-OMe-sal-R2)2], {where, sal=salicylaldehyde, 5-OMe-sal=5-methoxy- salicylaldehyde, and R2=dodecylamine (DA), tetradecylamine (TA), or cetylamine (CA)} have been synthesized and characterized by spectroscopic, ESI-MS, and elemental analysis methods.(More)
Triazenes are a unique class of polyazo compounds containing three consecutive nitrogen atoms in an acyclic arrangement and are promising NLO candidates. In the present work, a series of 15 donor-π-acceptor type vinyl coupled triazene derivatives (VCTDs) with different acceptors (-NO(2), -CN, and -COOH) have been designed, and their structure, nonlinear(More)
The binding of Hypocrellin B-TiO2 chelate with DNA has been studied by using absorption, steady state fluorescence, cyclic voltammetry, time resolved fluorescence and laser flash photolysis measurements. The experimental results show that the presence of TiO2 nanoparticles increases the binding of Hypocrellin B with DNA. The groove binding mode is confirmed(More)
The possibility of simultaneous addition of η(2)-H2 to both the metals (Ni and Fe) in the active site of the as isolated state of the enzyme (Ni-SI) is examined here by an atom-by-atom electronic energy partitioning based on the QTAIM method. Results show that the 4LS state prefers H2 removal than addition. Destabilization of the atomic basins of the(More)
Like siloles, benzosiloles have low lying LUMOs due to σ*-π* conjugation between Si and the butadiene moiety but are more amenable for structural tuning. In total, 27 benzosiloles, 12 of them already synthesized and another 15 newly reported here, have been investigated using DFT and TDDFT calculations with an aim to check their suitability for(More)
A recently reported triphenylamine (TPA) group in conjugation with a benzothiadiazole (BTD) moiety opens up the possibility for designing new organic sensitizers for solar cell applications that are amenable for structural tuning. Hence, seven new TPA molecules were designed from two experimentally reported molecules. The optoelectronic properties,(More)
The interaction of Acid Orange 10 (AO10) with bovine serum albumin (BSA) was investigated comparatively with that of human serum albumin (HSA) using multispectroscopic techniques for understanding their toxic mechanism. Further, density functional theory calculations and docking studies have been carried out to gain more insights into the nature of(More)
The solvent dynamics in Fe-tris-bipyridine [Fe(bpy)3](2+) upon electronic excitation (oxidation) and subsequent relaxation is followed on the picosecond time scale by using atomistic simulations. Starting from the low spin (LS) Fe(II)LS state the transition to the excited Fe(III) (1,3)MLCT (metal-to-ligand charge transfer) state decreases the water(More)
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