Name: Dr. Prabha Vadivelu Designation: Assistant Professor Phone: 04366-277230 Email:prabhav@cutn.ac.in
Biographic Sketch:
Dr. Prabha Vadivelu completed her Ph.D at Heriot-Watt University, Edinburgh, UK, in 2007, followed by Post-doctoral studies at the University of Heidelberg, Germany (2007-2009). She is the recipient of the James-Watt scholarship to pursue her Ph.D in UK and secured University first rank with a Gold medal in her bachelor’s degree. She has worked as a Fast-Track young scientist at CSIR-NIIST, Trivandrum (2013-2016). Presently, she is working as an Assistant professor, at the Department of Chemistry, CUTN. Her expertise lies in the area of computational chemistry for modelling Organic/Inorganic/Bio-inorganic reactions using state-of-the-art DFT methods. She has received several research grants (ï¾69.7 lakhs) from funding agencies viz. DST and UGC, to aid her research activities in the cutting edge of Bio-inorganic and CO2 fixation chemistry. She has guided nearly 25 M.Sc/i.M.Sc projects and published so far 22 research articles in peer-reviewed international journals with an average impact factor of 4.0 - 5.0.
Research Highlights :
We computationally design novel Inorganic/Bio-memetic catalyst models for selective C-H and C=C bond oxidation reactions, by using the state-of-the-art of high-accuracy Density Functional Theory (DFT) methods. This involves fine-tuning of catalysts by incorporating various ligand moieties, metal centers, solvents, additives and other relevant experimental conditions in order to improve the catalytic efficiency compared to the experimentally known systems. This way of approach is ultimately helpful to the experimentalists for developing better catalytic systems in terms of efficiency, environmentally benign and cost.
Recent Publications :
Thasnim P Mohammed, Akhila George, Madhuri Priya Sivaramakrishnan, Prabha Vadivelu, Sridhar Balasubramanian, Muniyandi Sankaralingam, Deciphering the effect of amine versus imine ligands of copper (II) complexes in 2-aminophenol oxidation J. Inorg. Biochem. 2023, 247, 112309.
P. Vadivelu* and K. Ganesan, Density Functional Theory Study on [Ni0(1,10-Phenanthroline)]-Catalyzed Reductive Carboxylation of Alkyl and Aryl Halides with CO2: Effect of the Lewis Acid and β-H Elimination Side Reaction in the Crucial CO2 Insertion Step Inorg. Chem, 2022, 61, 48, 19463-19474.
S. Krishnan, M. G. Maya, A. Das, S. Bhargavan, K. Ganesan, S. Sivaram, P. Vadivelu* & L. Ragupathy*, In situ interfacial compatibilization via edge sulfurated few-layer graphene during the formation of crosslinked graphene rubber nanocomposites, Scientific Reports, 2022, 12, 4013.
K. Ganesan, I. Kaliyaperumal, P. Vadivelu* "A Density Functional Theory Study on Comparing the Reactivity of [Mn(13-TMC)(OOH)]2+ and [Mn(13-TMC)(O2)]+ for the Sulfoxidation of Thioanisole" Inorg. Chem, 2021, 60, 13615-13625.
Panneerselvam Devibala, Ramachandran Dheepika, Prabha Vadivelu, and Samuthira Nagarajan, "Synthesis of Aroylbenzoate-Based Push-Pull Molecules for OFET Applications" ChemistrySelect, 2019, 4, 2339-2346.
Gejo George, Suja Bhargavan Sisupal, Teenu Tomy, Alaganadam Kumaran, Prabha Vadivelu, Vemparthan Suvekbala, Swaminathan Sivaram and Lakshminarayanan Ragupathy, "Facile, environmentally benign and scalable approach to produce pristine few layers graphene suitable for preparing biocompatible polymer nanocomposites" Scientific Reports, 2018, 8, 11228.
Muniyandi Sankaralingam, Prabha Vadivelu, Mallayan Palaniandavar, "Novel nickel(II) complexes of sterically modified linear N4 ligands: Effects of donor atom type, steric hindrance, diamine backbone and solvent on nickel(II) spin state and alkane hydroxylation with m-CPBA as oxidant" Dalton Trans, 2017, 46, 7181-7193.
Prabha Vadivelu* and Cherumuttathu H. Suresh Computational prediction of cyclometalated IrIII, RhIII and CoIII amido complexes to capture up to three CO2 molecules" Dalton Trans, 2015, 44, 16847-16853.
Prabha Vadivelu* and Cherumuttathu H. Suresh Metal- and ligand-assisted CO2 insertion into Ru-C, Ru-N and Ru-O bonds of Ru(II) phosphine complexes: A DFT Study Inorg. Chem, 2015, 54, 502-512.
Muniyandi Sankaralingam, Mani Balamurugan, Mallayan Palaniandavar*, Prabha Vadivelu*, Cherumuttathu H. Suresh, Nickel(II) Complexes of Tripodal 5N Ligands as Catalysts for Alkane Hydroxylation using m-CPBA as Oxidant: A Combined Experimental and Computational Study, Chem. Eur. J, 2014, 20, 11346-11361.
