Synthesis, Characterization, and DFT-Based Electronic and Nonlinear Optical Properties of Methyl 1-(arylsulfonyl)-2-aryl-1H-benzo[d]imidazole-6-carboxylates
Shumaila Aslam, Muhammad Haroon, Tashfeen Akhtar, Muhammad Nadeem Arshad, Muhammad Khalid, Zahid Shafiq, Muhammad Imran, Aman Ullah
Abstract
values, showing it is an eye-catching NLO material. This DFT study evokes the interest of researchers regarding the development of benzimidazole-based tempting NLO compounds that could be beneficial in modern hi-tech applications.
Topics & Concepts
Density functional theoryMolecular orbitalBenzimidazoleImidazoleChemistryComputational chemistrySulfonylNonlinear opticalAcceptorArylReactivity (psychology)Proton NMRCarbon-13 NMRCharacterization (materials science)Atomic orbitalNonlinear opticsMoleculeStereochemistryMaterials scienceOrganic chemistryNanotechnologyNonlinear systemPhysicsMedicineQuantum mechanicsAlternative medicineCondensed matter physicsPathologyElectronAlkylNonlinear Optical Materials ResearchSynthesis and biological activityChemical synthesis and pharmacological studies