Computational IR, Raman studies by DFT program and antidiabetic delineation by harboring of acetoacetanilide crystals
K. Senthil Kannan, P. Thamaraikannan, V. Kalaipoonguzhali, K. Venkatachalam, S. Kannan, R. Ranadevan
Abstract
Acetoacetanilide-AACE crystals are of NLO type and are having extensive range of employing in opto- electronic and frequency doubling and which have Empirical formula as C10H11NO2, Crystal system is orthorhombic, Space group is P212121 and crystallite size is 0.25*0.15*0.16 mm3. As the crystals of Acetoacetanilide are of NLO of the second order, it can be used for bio applications and for anti-diabetic (AD) activities theoretically, also theoretically confirmed the data of (dipole moments and polarizabilities by) IR and Raman.
Topics & Concepts
Orthorhombic crystal systemRaman spectroscopyDipoleCrystalliteCrystal (programming language)CrystallographyMaterials scienceCondensed matter physicsCrystal structureChemistryComputer sciencePhysicsOpticsOrganic chemistryProgramming languageNonlinear Optical Materials ResearchCrystallography and molecular interactionsAnalytical Chemistry and Chromatography