Spectroscopic behavior, FMO, NLO and NBO analysis of two novel aryl boronic acid derivatives: Experimental and theoretical insights

K Sharma, R Melavanki, SS Patil, R Kusanur… - Journal of Molecular …, 2019 - Elsevier
Here we report, experimental and theoretical determination of ground and excited state
dipole moments of aryl boronic acid derivatives, 2-Bromophenyl boronic acid (2BPBA) and 2 …

Synthesis, spectroscopic (FT-IR, FT-Raman), solvent effects (absorption, fluorescence), electronic and biological evaluation of 7-methyl-4-(4-methyl-2-nitro …

AM Rakkasagi, SM Hiremath, SS Khemalapure… - … of Photochemistry and …, 2023 - Elsevier
In this work, the 7-methyl-4-(4-methyl-2-nitro-phenoxymethyl)-2H-chromen-2-one
(7MMNPC) is synthesized by the reaction of 7-methyl-4-bromomethylcoumarin with 4-methyl …

Solvation, rotational dynamics, photophysical properties study of aromatic asymmetric di-ketones: An experimental and theoretical approach

R Melavanki, GV Muddapur, HT Srinivasa… - Journal of Molecular …, 2021 - Elsevier
In this article we have investigated the solvation, rotational dynamics and photo physics of
diketone derivatives DK-2 and DK-3 in alcohols and alkanes at room temperature through …

A role of solvent polarity on bimolecular quenching reactions of 3-acetyl-7-(diethylamino)-2H-chromen-2-one in binary solvent mixtures

VV Koppal, RM Melavanki, RA Kusanur… - Journal of Molecular …, 2018 - Elsevier
The study on preferential salvation was carried out for the 3-acetyl-7-(diethylamino)-2H-
chromen-2-one (3ADHC) molecule in different binary solvent mixtures of acetonitrile (ACN) …

Quantum chemical computations, fluorescence spectral features and molecular docking of two biologically active heterocyclic class of compounds

R Melavanki, K Sharma, VT Muttannavar… - … of Photochemistry and …, 2021 - Elsevier
This work is an effort for determination of excited and ground state values of dipole moments
and also for quantum chemical computation of two biologically active heterocyclic class of …

Exploring the spectral features and quantum chemical computations of a novel biologically active heterocyclic class of compound 2MEFPBA dye: Experimental and …

P Bhavya, R Melavanki, K Sharma, R Kusanur… - Chemical data …, 2019 - Elsevier
Here we report, experimental and theoretical determination of ground and excited state
dipole moments of the class of heterocyclic compound namely 2-Methoxy-5-fluoro phenyl …

Examining the spectroscopic features and quantum chemical computations of a Quinoline derivative: Experimental and theoretical insights into the photophysical …

RM MELAVANKI, K Sharma… - Indian Journal of Pure …, 2020 - op.niscpr.res.in
The solvatochromic studies in a Quinoline derivative molecule namely Quinolin-8-ol (QO)
have been carried out at ambient temperature using absorption and fluorescence …

Synthesis, Spectral Analysis, Quantum Chemical Calculation and Molecular Docking Studies of Indole Derivative

S Devar, V Mallayya, O Patil, B SM, N Yernale… - … and Molecular Docking … - papers.ssrn.com
The indole and its derivatives are privileged scaffold in drug discovery as well as
development. We herein report the theoretical and experimental study of ethyl 5-methyl-3 …