An organic benzimidazolium benzilate (BDBA) crystal: Structural description, spectral investigations, DFT calculations, thermal, photoluminescence, linear and nonlinear optical analysis
M.A. Gomathi, C. Karnan, T. Sivanesan, J. Christina Rhoda, S. Manivannan, V. Ragavendran, G. Vinitha, A. Prabakaran
Topics & Concepts
Monoclinic crystal systemChemistryMulliken population analysisHOMO/LUMODensity functional theoryPhotoluminescenceSingle crystalAnalytical Chemistry (journal)Intermolecular forceMolecular geometryCrystal (programming language)Molecular orbitalHyperpolarizabilityCrystal structureCrystallographyMaterials scienceComputational chemistryMoleculePolarizabilityOrganic chemistryProgramming languageOptoelectronicsComputer scienceNonlinear Optical Materials ResearchCrystal structures of chemical compoundsCrystallography and molecular interactions