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Teaching Inorganic Photophysics and Photochemistry with Three Ruthenium(II) Polypyridyl Complexes: A Computer-Based Exercise

2015

Among computational methods, DFT (density functional theory) and TD-DFT (time-dependent DFT) are widely used in research to describe, inter alia, the optical properties of transition metal complexes. Inorganic/physical chemistry courses for undergraduate students treat such methods, but quite often only from the theoretical point of view. In the calculation exercise herein described, students are guided step by step through the computational study of the photophysics and photochemistry of polypyridyl Ru(II) d6-metal complexes. In particular, by means of DFT and TD-DFT calculations, they are asked to examine and interpret a set of experimental data describing the absorption, emission, and ph…

Laboratory InstructionHands-On Learning/ManipulativePhotochemistry3304chemistry.chemical_elementGraduate Education/ResearchCoordination Compounds010402 general chemistryPhotochemistry01 natural sciencesPhysical ChemistryEducationCoordination complexInorganic ChemistryTransition metalCalculator-Based Learning; Continuing Education; Coordination Compounds; Graduate Education/Research; Hands-On Learning/Manipulatives; Inorganic Chemistry; Laboratory Instruction; Photochemistry; Physical Chemistry; Upper-Division Undergraduate; Chemistry (all); 3304Moleculechemistry.chemical_classificationScience instructionCalculator-Based Learning05 social sciencesChemistry (all)Computer based050301 educationContinuing educationGeneral ChemistryHands-On Learning/ManipulativesUpper-Division Undergraduate0104 chemical sciences3. Good healthRutheniumContinuing EducationchemistryCoordination CompoundSettore CHIM/03 - Chimica Generale E InorganicaDensity functional theory0503 education
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