I am an active researcher and assistant professor with over nine years of experience, specializing in the field of crystal engineering. Possessing a strong record of knowledge dissemination, evidenced by 21 SCI-indexed international publications and 2 authored books. Committed to applying this expertise to foster innovation and achieve strategic organizational goals.
EDUCATION
Ph.D (Chemistry) Annamalai University 2016 First Class Regular
M.Sc (Chemistry) Karunya University 2011 First Class Regular
B.Sc Andhra Loyola College 2009 First Class Regular
Intermediate (10+2) Andhra Loyola College 2006 First Class Regular
RESEARCH, TEACHING, or OTHER INTERESTS
Chemistry, General Chemistry, Electrochemistry, Environmental Science
Growth, characterization and theoretical studies of cadmium (II) thiourea complexes: a comparative study M. Rajasekar, K. Jayamoorthy, S. P. Meenakshisundaram, A. Aditya Prasad, K. I. Dhanalekshmi Inorganic and Nano Metal Chemistry, 2023 Single crystals of bis(thiourea)cadmium(II) chloride, bis(ethylene thiourea)-cadmium(II) chloride, tris(allylthiourea)cadmium(II) chloride and tetrakis-(phenylthiourea)cadmium(II)chloride complexes were grown using conventional slow evaporation solution growth technique. The structure and crystallinity of the materials were confirmed by powder XRD analysis. The optical properties of specimens were analyzed by UV-DRS spectroscopy. FT-IR studies recognize the vibrations of functional groups present. SEM examines surface morphology. TGA and DTA expose the specimen's purity, and the decomposition was not identified until the melting point. Microhardness studies also studied the mechanical behavior of the samples. Kurtz and Perry powder technique estimates the second harmonic generation efficiency of the as-grown specimens. It is interesting to observe that the allylthiourea complex exhibits the maximum SHG efficiency. Ethylene and phenylthiourea complexes are SHG inactive since they crystallize in centrosymmetric space groups. The intermolecular interactions and crystal packing make known that close contacts are related with strong interactions.
Crystal structure, Hirshfeld surface and interaction energy analysis, and quantum chemical investigation of a heteroaryl–phenyl chalcone derivative MJ Ghodrat Mahmoudi, A. Aditya Prasad, Alparslan Atahan, Ahmad Badreddin ... Journal of Molecular Structure 1367, 146131 , 2026 2026
Structural and supramolecular features of (diaminomethylidene)sulfonium picrate: insights from crystallography and interaction energy analysis SPM A. Aditya Prasad Journal of Molecular Structure, 145844 , 2026 2026
A distinct polymorphic form of 2-amino-5-nitrobenzophenone: crystal structure, Hirshfeld surface analysis and structure-based DFT study AA Prasad Journal of Molecular Structure 1361 (2026), 145658 , 2026 2026
Energy-framework analysis and electronic structure correlation in trans-diaquabis(5-methylthiazole-2-carboxylato-κN,O)nickel(II) Journal of Molecular Structure, 146591 , 2026 2026
Crystal growth, structural characterization and optoelectronic properties of 2-aminobenzylaminium picrate organic single crystal SGSPM A. Aditya Prasad, K. Koteswara Rao, R. Rajesh, C. Balakrishnan Journal of Materials Science: Materials in Electronics 37, 1007 , 2026 2026
Synthesis, Crystal Structure, and Supramolecular Architecture of a Novel Tetrahedral Triazole Ligand: SC-XRD, Hirshfeld, and DFT Insights P Gangadhar, M Praveen, K Narendra, P Amesh, AA Prasad Journal of Molecular Structure 1358, 145243 , 2026 2026
Synthesis, crystal structure, supramolecular architecture and electronic structure analysis of a new iron (III)–EDTA complex salt AS ugli Juraev, RA Khamidjanovich, AA Prasad, KK Turaev, ... Journal of Molecular Structure, 146273 , 2026 2026
Structural, supramolecular and electronic features of a tetrahedral copper(II)-thiourea coordination complex containing picrate counterions A. Aditya Prasad, M. Rajasekar, S.P. Meenakshisundaram Polyhedron 290, 118046 , 2026 2026
Experimental Crystal Structure Determination AA Prasad https://doi.org/10.5517/ccdc.csd.cc2r5d2f , 2026 2026
Growth, characterization and theoretical studies of cadmium (II) thiourea complexes: a comparative study M Rajasekar, K Jayamoorthy, SP Meenakshisundaram, AA Prasad, ... Inorganic and Nano-Metal Chemistry 53 (9), 995-1006 , 2023 2023 Citations: 2
Synthesis of NiO nanoparticles by sol-gel based catalyzed method AAP Andrea Sandra Christine D’Cruz, M. Vishnu Devan, N.V.P. Rangarao Journal of Engineering Sciences 11 (6), 44-52 , 2020 2020
Computational Studies of Some Newly Synthesized PeryleneTetracarboxylicDiimides (PTCDIs) KRS Andrea Sandra Christine D’Cruz, Araveti Aditya Prasad DJ Journal of Engineering Chemistry and Fuel 4 (2019), 71-79 , 2019 2019
Crystal growth, structure and characterization of diglycine zinc dipicrate: Centrosymmetric crystal exhibiting second harmonic generation efficiency SPMRM S. Sivaraman, C. Balakrishnan, A. Aditya Prasad, R. M. Sokalingam Molecular Crystals and Liquid Crystals 656 (1), 153-168 , 2017 2017 Citations: 9
Polymorphs of 4-isopropylbenzylidine thiophene-2-carbohydrazide: Crystal growth and density functional theory computations A Rajavel, AA Prasad, T Jeyakumar Journal of Molecular Structure 1130, 138-149 , 2017 2017 Citations: 3
Supramolecular architecture of third-order nonlinear optical ammonium picrate: crystal growth and DFT approach A Prasad, S Kalainathan, SP Meenakshisundaram Optik 127 (15), 6134-6149 , 2016 2016 Citations: 19
Conformational polymorphs of isobutyl-6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylate: spectroscopic, structural and DFT approach AA Prasad, CU Kumar, BA Prakasam, SP Meenakshisundaram Structural Science 72 (3), 301-309 , 2016 2016 Citations: 10
Hyperpolarizability, Hirshfeld, and density functional theory computations of a nonlinear optical picrate R Agilandeswari, AA Prasad, S Sivaraman, S Kalainathan, ... Molecular Crystals and Liquid Crystals 625 (1), 238-252 , 2016 2016 Citations: 7
Growth and characterization of a mixed crystal ethylenethiourea cadmium nickel chloride M Rajasekar, V Meenatchi, AA Prasad, R Agilandeshwari, ... Optik 126 (22), 3326-3328 , 2015 2015 Citations: 1
Combined theoretical and experimental studies on the molecular structure, spectral and Hirshfeld surface studies of NLO tris (thiourea) zinc (II) sulfate crystals K Muthu, V Meenatchi, M Rajasekar, AA Prasad, K Meena, ... Journal of Molecular Structure 1091, 210-221 , 2015 2015 Citations: 26
MOST CITED SCHOLAR PUBLICATIONS
Optical, vibrational, NBO, first-order molecular hyperpolarizabilityand Hirshfeld surface analysis of a nonlinear optical chalcone SPM A. Aditya Prasad, K. Muthu, V. Meenatchi, M. Rajasekar, R ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , 2015 2015 Citations: 127
Crystal growth, characterization and theoretical studies of 4-aminopyridinium picrate SPM A. Aditya Prasad, K. Muthu, M. Rajasekar, V. Meenatchi Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 135, 805-813 , 2014 2014 Citations: 41
Combined theoretical and experimental studies on the molecular structure, spectral and Hirshfeld surface studies of NLO tris (thiourea) zinc (II) sulfate crystals K Muthu, V Meenatchi, M Rajasekar, AA Prasad, K Meena, ... Journal of Molecular Structure 1091, 210-221 , 2015 2015 Citations: 26
Synthesis, crystal growth, characterization and theoretical studies of 4-aminobenzophenonium picrate SPM A. Aditya Prasad, K. Muthu, M. Rajasekar, V. Meenatchi Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 135, 46-54 , 2014 2014 Citations: 24
Supramolecular architecture of third-order nonlinear optical ammonium picrate: crystal growth and DFT approach A Prasad, S Kalainathan, SP Meenakshisundaram Optik 127 (15), 6134-6149 , 2016 2016 Citations: 19
Crystal growth, characterization and Density functional theory computations of supramolecular N-carbamothioyl acetamide AAPSP Meenakshisundaram Crystal Research and Technology 50 (5), 395–404 , 2015 2015 Citations: 16
Synthesis, growth, structure and characterization of potassium lithium hydrogen phthalate mixed crystals JV Manonmoni, G Ramasamy, AA Prasad, SP Meenakshisundaram, ... RSC advances 5 (57), 46282-46289 , 2015 2015 Citations: 15
Growth, hyperpolarizability, characterization and theoretical studies of NLO active Tris(allylthiourea)mercury(II) chloride SPM M. Rajasekar, K. Muthu, A. Aditya Prasad Journal of Molecular Structure , 2015 2015 Citations: 14
Conformational polymorphs of isobutyl-6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylate: spectroscopic, structural and DFT approach AA Prasad, CU Kumar, BA Prakasam, SP Meenakshisundaram Structural Science 72 (3), 301-309 , 2016 2016 Citations: 10
Crystal growth, structure and characterization of diglycine zinc dipicrate: Centrosymmetric crystal exhibiting second harmonic generation efficiency SPMRM S. Sivaraman, C. Balakrishnan, A. Aditya Prasad, R. M. Sokalingam Molecular Crystals and Liquid Crystals 656 (1), 153-168 , 2017 2017 Citations: 9
Growth and characterization of 2-amino-5-nitrobenzophenonium picrate crystals SCM A. Aditya Prasad, K. Muthu, V. Meenatchi, M. Rajasekar, S. P ... Journal of Thermal Analysis and Calorimetry , 2014 2014 Citations: 9
Hyperpolarizability, Hirshfeld, and density functional theory computations of a nonlinear optical picrate R Agilandeswari, AA Prasad, S Sivaraman, S Kalainathan, ... Molecular Crystals and Liquid Crystals 625 (1), 238-252 , 2016 2016 Citations: 7
Crystal growth, characterization and theoretical studies of alkaline earth metal-doped tetrakis(thiourea)nickel(II) chloride SPM R. Agilandeshwari, K. Muthu, V. Meenatchi, K. Meena, M. Rajasekar, A ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 137, 383-388 , 2014 2014 Citations: 7
Synthesis, growth, structure and characterization of molybdenum zinc thiourea complex crystals RASPM M. Rajasekar, K. Muthu, A. Aditya Prasad Acta Cryst B 71 (2015), 285–292 , 2015 2015 Citations: 5
Polymorphs of 4-isopropylbenzylidine thiophene-2-carbohydrazide: Crystal growth and density functional theory computations A Rajavel, AA Prasad, T Jeyakumar Journal of Molecular Structure 1130, 138-149 , 2017 2017 Citations: 3
Growth, characterization and theoretical studies of cadmium (II) thiourea complexes: a comparative study M Rajasekar, K Jayamoorthy, SP Meenakshisundaram, AA Prasad, ... Inorganic and Nano-Metal Chemistry 53 (9), 995-1006 , 2023 2023 Citations: 2
Influence of Cs(I)-doping on the spectral, thermal, morphological and optical properties of bis(thiourea)zinc(II) chloride crystals SPM K. Meena, K. Muthu, V. Meenatchi, M. Rajasekar, A. Aditya Prasad Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 125, 308-312 , 2014 2014 Citations: 2
Growth and characterization of a mixed crystal ethylenethiourea cadmium nickel chloride M Rajasekar, V Meenatchi, AA Prasad, R Agilandeshwari, ... Optik 126 (22), 3326-3328 , 2015 2015 Citations: 1
Crystal structure, Hirshfeld surface and interaction energy analysis, and quantum chemical investigation of a heteroaryl–phenyl chalcone derivative MJ Ghodrat Mahmoudi, A. Aditya Prasad, Alparslan Atahan, Ahmad Badreddin ... Journal of Molecular Structure 1367, 146131 , 2026 2026
Publications
1. A distinct polymorphic form of benzophenone: crystal structure, Hirshfeld surface analysis and structure-based DFT study, Journal of Molecular Structure (2026).
2. Synthesis, crystal structure, and supramolecular architecture of a novel tetrahedral triazole ligand: SC-XRD, Hirshfeld, and DFT insights, Journal of Molecular Structure, 25 (2026) 145243.
3. Growth, characterization and theoretical studies of cadmium(II) thiourea complexes: a comparative study, Inorganic and Nano-Metal Chemistry, 53 (2023) 995–1006.
4. Crystal growth, structure and characterization of diglycine zinc dipicrate: centrosymmetric crystal exhibiting second harmonic generation efficiency, Molecular Crystals and Liquid Crystals, 656 (2017) 153–168.
5. Polymorphs of 4-isopropylbenzylidine thiophene-2-carbohydrazide: crystal growth and Density Functional Theory computations, Journal of Molecular Structure, 1130 (2017) 138–149.
6. Conformational polymorphs of isobutyl-6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylate: spectroscopic, structural and DFT approach, Acta Crystallographica B: Structural Science, Crystal Engineering of Materials, 72 (2016) 301–309.
7. Hyperpolarizability, Hirshfeld and Density Functional Theory computations of a nonlinear optical pi
