Search Results - "Varathan, Elumalai"

Multipolar triphenylamines: Effect of spectator donor-acceptor pair on intramolecular charge transfer interactions by Thamaraiselvi, Pichandi, Varathan, Elumalai, Subramanian, Venkatesan, Easwaramoorthi, Shanmugam

“…Donor (D) - Acceptor (A) compounds based on triphenylamine (TPA) substituted with cyano, nitro, and formyl functional groups were synthesized in dipolar (DA),…”
Get full text

Visible‐Light‐Driven One‐Pot Synthesis of Benzimidazoles, Benzothiazoles, and Quinazolinones Catalyzed by Scalable and Reusable Ba‐Doped CoMoO4 Nanoparticles Under Air Atmosphere by Abinaya, Ramanjulu, Elavarasan, Selvaraj, Binish, B., Mani Rahulan, K., Balasubramanian, Kalpattu K., Manokaran, Kamaraj, Varathan, Elumalai, Baskar, Baburaj

“…Herein we report a simple and efficient oxidative coupling of various aryl methyl amines with diverse coupling partners, such as o‐phenylenediamine…”
Get full text

Structure-aromaticity-spectroscopy relationship in conjugated polymers by Karuppusamy, Masiyappan, Panneer, Shyam Vinod Kumar, Jennifer G, Abigail, Varathan, Elumalai, Ravva, Mahesh Kumar, Subramanian, Venkatesan

“…In this study, an effort has been made to analyze the aromaticity of oligomers of phenylenes and thiophenes, with the presence and absence of linkers using…”
Get full text

Polarity-Induced Morphological Transformation with Tunable Optical Output of Terpyridine–Phenanthro[9,10‑d]imidazole-Based Ligand and Its Zn(II) Complexes with I–V Characteristics by Rana, Priya, Jennifer G, Abigail, Rao T, Shanmuka, Mukhopadhyay, Sabyasachi, Varathan, Elumalai, Das, Priyadip

“…Self-assembled nanostructures obtained from various functional π-conjugated organic molecules have been able to draw substantial interest due to their inherent…”
Get full text

Computational Study of Actinyl Ion Complexation with Dipyriamethyrin Macrocyclic Ligands by Varathan, Elumalai, Gao, Yang, Schreckenbach, Georg

“…Relativistic density functional theory has been employed to characterize [AnO2(L)]0/‑1 complexes, where An = U, Np, Pu, and Am, and L is the recently reported…”
Get full text

Aromaticity–Photovoltaic Property Relationship of Triphenylamine-Based D‑π‑A Dyes: Leads from DFT Calculations by Venkatraman, Raghavendra, Panneer, Shyam Vinod Kumar, Varathan, Elumalai, Subramanian, Venkatesan

“…D-π-A-based dyes find a wide range of applications in molecular electronics and photovoltaics in general and dye-sensitized solar cells (DSSC) in particular…”
Get full text

Molecular interaction and corrosion inhibition of benzophenone and its derivative on mild steel in 1 N HCl: Electrochemical, DFT and MD simulation studies by Ravi, Sanmugapriya, Peters, Silda, Varathan, Elumalai, Ravi, Monisha, J, Arockia Selvi

“…In this study, Benzophenone (BP) and 2-Aminobenzophenone (2-A.BP) were evaluated for the corrosion inhibition effect on mild steel in 1 N HCl solution with…”
Get full text

Computational Study of Actinyl Ion Complexation with Dipyriamethyrin Macrocyclic Ligands by Varathan, Elumalai, Gao, Yang, Schreckenbach, Georg

Get full text

Vacancy defect assisted enhanced nitrogen fixation in boron nitride nanomaterials by Choutipalli, Venkata Surya Kumar, Esackraj, Karthikraja, Varathan, Elumalai, Subramanian, Venkatesan

“…[Display omitted] •Vacancy defects induced magnetic nature to hBN there by regulating its catalytic properties.•All the possible N2 adsorption modes have been…”
Get full text

Understanding the Coordination Chemistry of Am III /Cm III in the DOTA Cavity: Insights from Energetics and Electronic Structure Theory by Gao, Yang, Jennifer G, Abigail, Varathan, Elumalai, Schreckenbach, Georg

“…The minor actinides Am/Cm show multiple possibilities for coordination, providing great opportunities for their extraction and adsorption separation. Herein,…”
Get full text

Computational Characterization of Ac III -DOTA Complexes in Aqueous Solution by Gao, Yang, Varathan, Elumalai, Grover, Payal, Schreckenbach, Georg

“…The 1,4,7,10-tetrazacyclodecane-1,4,7,10-tetraacetic acid (DOTA) aqueous complexes of Ac with H O, dimethyl sulfoxide (DMSO), OH , and F as axial ligands were…”
Get full text

Single-atom catalysts for biosensing: Progress in theoretical and mechanistic understanding by Chellasamy, Gayathri, Varathan, Elumalai, Sekar, Karthikeyan, Venkateswarlu, Sada, Govindaraju, Saravanan, Yun, Kyusik

Get full text

Design of Isoindigo-Based Small-Molecule Donors for Bulk Heterojunction Organic Solar Cell Applications in Combination with Nonfullerene Acceptors by Karuppusamy, Masiyappan, Panneer, Shyam Vinod Kumar, Varathan, Elumalai, Ravva, Mahesh Kumar, Easwaramoorthi, Shanmugam, Subramanian, Venkatesan

“…The development of small-molecule organic solar cells with the required efficiency depends on the information obtained from molecular-level studies. In this…”
Get full text

Computational Characterization of AcIII-DOTA Complexes in Aqueous Solution by Gao, Yang, Varathan, Elumalai, Grover, Payal, Schreckenbach, Georg

“…The 1,4,7,10-tetrazacyclodecane-1,4,7,10-tetraacetic acid (DOTA) aqueous complexes of AcIII with H2O, dimethyl sulfoxide (DMSO), OH–, and F– as axial ligands…”
Get full text

Periodic Trends in the Stabilization of Actinyls in Their Higher Oxidation States Using Pyrrophen Ligands by Jennifer G, Abigail, Gao, Yang, Schreckenbach, Georg, Varathan, Elumalai

“…Owing to the prominent existence and unique chemistry of actinyls, their complexation with suitable ligands is of significant interest. The complexation of…”
Get full text

Understanding the Coordination Chemistry of AmIII/CmIII in the DOTA Cavity: Insights from Energetics and Electronic Structure Theory by Gao, Yang, Jennifer G, Abigail, Varathan, Elumalai, Schreckenbach, Georg

“…The minor actinides Am/Cm show multiple possibilities for coordination, providing great opportunities for their extraction and adsorption separation. Herein,…”
Get full text

Unraveling the role of non-planarity of free base porphyrins in intermolecular hydrogen bonding interactions with phenols by Palanisamy, Prasanth, G, Abigail Jennifer, Varathan, Elumalai, Nutalapati, Venkatramaiah

“…•Role of intermolecular hydrogen bonding interactions of freebase porphyrins with 2,4,6-trinitrophenol is analyzed.•Formation of 1:2 molecular adducts analyzed…”
Get full text

Supramolecular cocrystals of dispiro-P3N3-dicarboxylic acid: Synthesis, structural characterization and hirshfeld surface analysis by Jeevananthan, Velusamy, Jennifer G, Abigail, Varathan, Elumalai, Shanmugan, Swaminathan

“…•Two cyclotriphosphazene-based compounds (1 and 2) were prepared and characterised by single-crystal X-ray diffraction, PXRD, FT-IR, NMR, UV–Vis spectroscopy,…”
Get full text

Promoting photocatalytic interaction of boron doped reduced graphene oxide supported BiFeO3 nanocomposite for visible-light-induced organic pollutant degradation by Preetha, Rajaraman, Govinda raj, Muniyandi, Vijayakumar, Elayaperumal, Narendran, Moorthy Gnanasekar, Varathan, Elumalai, Neppolian, Bernaurdshaw, Jeyapaul, Ubagaram, John Bosco, Aruljothy

“…•A hydrothermal method was used to synthesize BiFeO3@B-rGO nanocomposite.•The magnetic properties of pristine BiFeO3 and composite BiFeO3 @B-rGO 10% were…”
Get full text

Tuning the CO2 Reduction Selectivity of an Immobilized Molecular Ag Complex beyond CO by Balamurugan, Mani, Jang, Jun Ho, Kim, Jeong Eun, Choi, Won Il, Jo, Young In, Park, Sunghak, Varathan, Elumalai, Nam, Ki Tae

“…The electrochemical reduction of carbon dioxide (CO2) to produce fuels and chemicals has garnered significant attention. However, achieving control over the…”
Get full text