Search Results - "Vadivelu, Prabha"

Nickel(II) Complexes of Pentadentate N5 Ligands as Catalysts for Alkane Hydroxylation by Using m-CPBA as Oxidant: A Combined Experimental and Computational Study by Sankaralingam, Muniyandi, Balamurugan, Mani, Palaniandavar, Mallayan, Vadivelu, Prabha, Suresh, Cherumuttathu H.

“…A new family of nickel(II) complexes of the type [Ni(L)(CH3CN)](BPh4)2, where L=N‐methyl‐N,N′,N′‐tris(pyrid‐2‐ylmethyl)‐ethylenediamine (L1, 1),…”
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Oxidation of Cyclohexane by High-Valent Iron Bispidine Complexes: Tetradentate versus Pentadentate Ligands by Comba, Peter, Maurer, Martin, Vadivelu, Prabha

“…The iron-bispidine-catalyzed oxidation of cyclohexane with H2O2, where either a tetradentate or a pentadentate bispidine ligand is coordinated to the iron…”
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In-situ interfacial compatibilization via edge-sulfurated few layer graphene during the formation of crosslinked graphene-rubber nanocomposites by Krishnan, Sangeeth, M.G, Maya, Das, Akhil, Bhargavan, Suja, Ganesan, Krithika, Sivaram, Swaminathan, Vadivelu, Prabha, Ragupathy, Lakshminarayanan

“…Herein, we report various physico-chemical approaches to probe the nature of the interface between few layers graphene (FLG) and carboxylated nitrile rubber…”
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Mixed ligand nickel(II) complexes as catalysts for alkane hydroxylation using m-chloroperbenzoic acid as oxidant by Sankaralingam, Muniyandi, Vadivelu, Prabha, Suresh, Eringathodi, Palaniandavar, Mallayan

“…A series of mixed ligand nickel(II) complexes has been isolated and studied as catalysts for alkane hydroxylation reaction using m-CPBA as oxidant. The π-back…”
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Oxidation of Cyclohexane by a High-Valent Iron Bispidine Complex: A Combined Experimental and Computational Mechanistic Study by Comba, Peter, Maurer, Martin, Vadivelu, Prabha

“…Experimental data suggest that there are various competing pathways for the catalytic and stoichiometric oxygenation of cyclohexane, assisted by iron-bispidine…”
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Iron vs. ruthenium--a comparison of the stereoselectivity in catalytic olefin epoxidation by Benet-Buchholz, Jordi, Comba, Peter, Llobet, Antoni, Roeser, Stephan, Vadivelu, Prabha, Wadepohl, Hubert, Wiesner, Sebastian

“…The synthesis and the full characterization of a new ruthenium(II) complex with the pentadentate bispidine ligand L(1) is reported and shown to be a very…”
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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 by Vadivelu, Prabha, Ganesan, Krithika

“…The [Ni0(phen)] (1)-catalyzed reductive carboxylation of propyl and phenyl chloride with a CO2 molecule has been compared using the density functional theory…”
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Intramolecular Alkyl Phosphine Dehydrogenation in Cationic Rhodium Complexes of Tris(cyclopentylphosphine) by Douglas, Thomas M., Brayshaw, Simon K., Dallanegra, Romaeo, Kociok-Köhn, Gabriele, Macgregor, Stuart A., Moxham, Gemma L., Weller, Andrew S., Wondimagegn, Tebikie, Vadivelu, Prabha

“…[Rh(nbd)(PCyp3)2][BArF4] (1) [nbd = norbornadiene, ArF = C6H3(CF3)2, PCyp3 = tris(cyclopentylphosphine)] spontaneously undergoes dehydrogenation of each PCyp3…”
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Density Functional Theory Study on [Ni 0 (1,10-Phenanthroline)]-Catalyzed Reductive Carboxylation of Alkyl and Aryl Halides with CO 2 : Effect of the Lewis Acid and β-H Elimination Side Reaction in the Crucial CO 2 Insertion Step by Vadivelu, Prabha, Ganesan, Krithika

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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: Elucidation of Substrate and Non-Redox Metal Ion Effects by Ganesan, Krithika, Kaliyaperumal, Ilakya, Vadivelu, Prabha

“…The reactivities of [Mn­(13-TMC)­(OOH)]2+ (1) and [Mn­(13-TMC)­(O2)]+ (2) in the sulfoxidation of thioanisole have been compared using density functional…”
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A DFT study exploring the catalytic efficacy of 13-TMC bound MnIII-O2/OOH and MnIV/V-O species towards cyclohexene epoxidation–Deciphering the effect of additives by Vadivelu, Prabha, Sivaramakrishnan, Madhuri Priya, Ganesan, Krithika

“…•The DFT study proposes the 13-TMC bound Mn-complex as an efficient catalyst for alkene epoxidation.•The epoxidation proceeds predominantly via MnIII-OOH in…”
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Deciphering the effect of amine versus imine ligands of copper(II) complexes in 2-aminophenol oxidation by Mohammed, Thasnim P., George, Akhila, Sivaramakrishnan, Madhuri Priya, Vadivelu, Prabha, Balasubramanian, Sridhar, Sankaralingam, Muniyandi

“…A series of amine (1–6) and imine (5′,6′) based copper(II) complexes with tridentate (NNO) ligand donors were synthesized and characterized using modern…”
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Iron(III) complexes of tripodal tetradentate 4N ligands as functional models for catechol dioxygenases: the electronic vs. steric effect on extradiol cleavage by Balamurugan, Mani, Vadivelu, Prabha, Palaniandavar, Mallayan

“…A few mononuclear iron(iii) complexes of the type [Fe(L)Cl2]Cl , where L is a tetradentate tripodal 4N ligand such as…”
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Metal- and Ligand-Assisted CO 2 Insertion into Ru–C, Ru–N, and Ru–O Bonds of Ruthenium(II) Phosphine Complexes: A Density Functional Theory Study by Vadivelu, Prabha, Suresh, Cherumuttathu H.

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Metal- and Ligand-Assisted CO sub(2) Insertion into Ru-C, Ru-N, and Ru-O Bonds of Ruthenium(II) Phosphine Complexes: A Density Functional Theory Study by Vadivelu, Prabha, Suresh, Cherumuttathu H

“…The CO sub(2) insertion reactions of [L sub(4)Ru([eta] super(2)-CH sub(2)C sub(6)H sub(4))] (1), [L sub(4)Ru([eta] super(2)-OC sub(6)H sub(3)Me)] (2), and [L…”
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Synthesis of Aroylbenzoate‐Based Push‐Pull Molecules for OFET Applications by Devibala, Panneerselvam, Dheepika, Ramachandran, Vadivelu, Prabha, Nagarajan, Samuthira

“…Solution‐processable organic semiconductors have attracted great attention in recent years, because of their performance and reliability in potential…”
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Facile, environmentally benign and scalable approach to produce pristine few layers graphene suitable for preparing biocompatible polymer nanocomposites by George, Gejo, Sisupal, Suja Bhargavan, Tomy, Teenu, Kumaran, Alaganandam, Vadivelu, Prabha, Suvekbala, Vemparthan, Sivaram, Swaminathan, Ragupathy, Lakshminarayanan

“…The success of developing graphene based biomaterials depends on its ease of synthesis, use of environmentally benign methods and low toxicity of the chemicals…”
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Metal- and Ligand-Assisted CO2 Insertion into Ru–C, Ru–N, and Ru–O Bonds of Ruthenium(II) Phosphine Complexes: A Density Functional Theory Study by Vadivelu, Prabha, Suresh, Cherumuttathu H

“…The CO2 insertion reactions of [L4Ru(η2-CH2C6H4)] (1), [L4Ru(η2-OC6H3Me)] (2), and [L4Ru(η2-NHC6H4)] (3), where L = PH3 and PMe3, are modeled using density…”
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A combined experimental and computational study on the sulfoxidation by high-valent iron bispidine complexes by Jaccob, Madhavan, Comba, Peter, Maurer, Martin, Vadivelu, Prabha, Venuvanalingam, Ponnambalam

“…Iron-bispidine complexes are efficient catalysts for the oxidation of thioanisole to phenylmethylsulfoxide with iodosylbenzene as oxidant. With the…”
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Cu(II) coordination chemistry of patellamide derivatives: possible biological functions of cyclic pseudopeptides by Comba, Peter, Dovalil, Nina, Gahan, Lawrence R, Haberhauer, Gebhard, Hanson, Graeme R, Noble, Christopher J, Seibold, Björn, Vadivelu, Prabha

“…Two synthetic derivatives of the naturally occurring cyclic pseudooctapeptides patellamide  A-F and ascidiacyclamide, that is, H(4)pat(2), H(4)pat(3), as well…”
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