P. Madhu

Bharathiar University

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D. Ravi

Indian Institute of Chemical Technology

A. Kurumanna

Osmania University

B. Sakram

Osmania University

P. M. Anbarasan

Periyar University

B. Sonyanaik

Indian Institute of Technology Jodhpur

P. Sivakumar

St. Peter's Institute of Higher Education and Research

S. Rambabu

Osmania University

K. Ashok

Chaitanya Bharathi Institute of Technology

Rajendran Sribalan

Madurai Kamaraj University

D. Sakthi

G.S. Science, Arts And Commerce College

Cooperative Institutions

Osmania University

Periyar University

Academy of Scientific and Innovative Research

Indian Institute of Chemical Technology

Kakatiya University

Thiruvalluvar University

Tamil Nadu Agricultural University

Indian Institute of Technology Kanpur

Madurai Kamaraj University

Madurai Medical College

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Stilbene Based Organic Dye as Efficient Sensitizer for NLO and Dye-Sensitized Solar Cells: A First Principle Study

Materials Today Proceedings (2019)

P. Madhu P. M. Anbarasan

HOMO/LUMO

10.1016/j.matpr.2019.02.148

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Citations (4)

Effects of the bridge unit in D‐π‐A architecture to improve light harvesting efficiency at DSSCs: A first principle theoretical study

Environmental Progress & Sustainable Energy (2017)

P. Madhu Anbarasan Ponnusamy Munusamy

This work systematically has investigated on the issues of spacer modified at D‐π‐A based organic sensitizers for Dye‐Sensitized Solar Cells (DSSCs). The rigidity of the donor and electron acceptor namely triphenylamine and 2‐cyanobut‐2‐enoic acid with good electron with drawing moiety are used for this study. The first principle theoretical calculations, the general effects of electron flow/electron injection in the π‐spacer based modified organic sensitizers are initially examined and explained. All the computations were carried out within the DFT and TD‐DFT framework, using the B3LYP functional. The solvation effects were incorporated using the Conductor like Polarized Continuum Model (C‐PCM) for the acetonitrile (CH 3 CN). Finally, the photovoltaic effective factors like the light harvesting properties and vertical dipole moment are evaluated and could be practically useful to achieve the efficiency of the studied dyes in DSSCs devices. © 2017 American Institute of Chemical Engineers Environ Prog, 37: 1403–1410, 2018

Triphenylamine

Moiety

Nanoporous

10.1002/ep.12787

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Citations (8)

Synthesis of new N-phenyl-3-aryl-1,8-naphthyridin-2-amines and 4-((3-aryl-1,8-naphthyridin-2-yl)amino) phenols and their biological and molecular docking studies

Chemical Data Collections (2019)

B. Sakram A. Kurumanna D. Ravi P. Madhu B. Narsaiah

Docking (animal)

Proton NMR

10.1016/j.cdc.2019.100313

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Citations (1)

Novel synthesis of substitutedN-(3-aryl-1,8-naphthyridin-2-yl) andN,N′-bis(3-aryl-1,8-naphthyridin-2-yl)benzene-1,4-diamines and 2-(4-((3-aryl-1,8-naphthyridin-2-yl)amino)phenyl)isoindoline-1,3-diones and their biological evaluation

Synthetic Communications (2017)

D. Ravi B. Sakram K. Ashok S. Rambabu B. Sonyanaik

A straightforward and highly efficient series of new substituted 3-aryl-1,8-naphthyridine derivatives 3a–e, 4a–e, and 6a–e were synthesized. Condensation dissimilar quantities of 2-chloro-3-aryl-1,8-naphthyridine 1a–e with benzene-1,4-diamine 2 and sodium ethoxide refluxing in ethanol solvent yielded the compounds 3a–e and 4a–e. The 2-(4-((3-aryl-1,8-naphthyridin-2-yl)amino)phenyl)isoindoline-1,3-diones 6a–e were obtained by treatment of compounds 3a–e with phthalic anhydride 5 in refluxing N,N-dimethylformamide is described. All synthesized compounds evaluated for their antimicrobial activity. The structures of the compounds have been proven on the established of spectral (IR, 1H NMR, and 13C NMR) data and elemental analyses. The reaction will be characterized by good efficacy, easy workup, simple purification of the products, and availability of catalyst.

Phthalic anhydride

Isoindoline

Sodium ethoxide

Proton NMR

10.1080/00397911.2017.1386790

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Citations (6)

Simple and efficient method for aromatization of tetrahydro-β-carbolines by using K2S2O8 as a catalyst and its antimicrobial activity comparison with molecular docking studies

Russian Journal of General Chemistry (2017)

A. Kurumanna K. Ashok S. Rambabu B. Sonyanaik D. Ravi

Aromatization

Klebsiella pneumonia

Docking (animal)

10.1134/s1070363217110287

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Citations (2)

Ferric Chloride-catalyzed Synthesis of 2-Oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate Derivatives and Their Biological Evaluation

Russian Journal of General Chemistry (2018)

B. Sakram P. Madhu B. Sonyanaik S. Rambabu D. Ravi

Anhydrous

Carboxylate

Nystatin

Proton NMR

10.1134/s1070363218060294

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Citations (9)

Theoretical Investigations of 1,5-Diaminoanthra-quinone Organic Dye Sensitizer for Dye Sensitizer Solar Cell

Chemical Science Transactions (2016)

D. Sakthi P. Madhu A. Prakasam S. Sivakumar P. M. Anbarasan

Based on theoretical calculations, we have studied quinine based dye for the application of Dye Sensitized Solar Cells (DSSCs).The effects of the electron donor-deficient units on the spectra and electrochemical properties have been investigated by Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) approaches.Further, the semiconductor TiO 2 is used as a model to evaluate the photo conversion efficiency of the chosen dye architecture.Results show that amino group acts as a donor and quinine group acts as an electron acceptor.Here, the group combination gives rise to large difference in dipole moment at excited state dipole moment than the ground state.This kind of quinine based metal free organic dye sensitizer is a promising sensitizer for practical DSSCs applications.

Organic dye

10.7598/cst2016.1296

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Citations (1)

Influence of donor substitution at $$\mathrm{D}{-}\uppi {-}\mathrm{A}$$ D - π - A architecture in efficient sensitizers for dye-sensitized solar cells: first-principle study

Bulletin of Materials Science (2017)

A. Arunkumar P. Madhu P. M. Anbarasan

Triphenylamine

Acceptor

10.1007/s12034-017-1497-7

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Citations (33)

A novel pyridine-pyrazole based selective "turn-off" fluorescent chemosensor for Fe(III) ions

Journal of Photochemistry and Photobiology A Chemistry (2018)

P. Madhu P. Sivakumar

Pyrazole

Proton NMR

Binding constant

Turn (biochemistry)

10.1016/j.jphotochem.2018.11.033

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Citations (26)

Influence of Electron Injection Rate in Triphenylamine Based Dye for Dye-Sensitized Solar Cells: A First Principle Study

Zeitschrift für Physikalische Chemie (2018)

P. Madhu

Abstract In this work, we systematically investigate the impacts of electron-donor based on Triphenylamine (TPA). The Geometry structure, energy levels, light-harvesting ability and ultraviolet-visible absorption spectra were calculated by using Density Functional Theory (DFT) and Time-Dependent-DFT. The electron injection rate of the TPA-N(CH 3 ) 2 based dyes has 0.71 eV for high among the dye sensitizer. The First and Second order Hyperpolarizability of the 11.95 × 10 −30 e.s.u and 12195.54 a.u, respectively for TPA-N(CH 3 ) 2 based dye. The calculated absorption spectra were showed in the ultra-violet visible region for power conversion region. The study reveals that the electron transfer character of TPA-N(CH 3 ) 2 based dyes can be made suitable for applications in Dye-Sensitized Solar Cells.

Triphenylamine

Hyperpolarizability

Ultraviolet

10.1515/zpch-2018-1314

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Citations (6)