Light: velocity and energy of light, wave properties of light, corpuscular properties of light Schrödinger equation and its derivation, free particle, particle in potential box Other models giving Schrödinger equation easy to solve, hydrogen atom, harmonic oscillator, rigid rotator Solution to Schrödinger equation for simple molecules, chemical bond theory approximation, multi-electron atoms, hydrogen molecule and its ion Atomic and molecular orbitals, hybridised AO, types of MO's ( sigma, pi, n, pi*, sigma*), electron states (configuration interaction, Slater determinant) Quantum-chemical calculation methods, precision of quantum-chemical calculations, further approximations, semi-empirical methods, Hückel's method (HMO) Electronic absorption spectra, origin of spectra, types of transitions, energy of electron transition types pi pi* and n pi*, intensity and shape of absorption bands Classification of organic chromogens, historical development of theory of colour, types of chromogens Relationships between structure and colour of polyatomic molecules, basic rules of colour, absorption spectra of aromatic azo compounds Quantum-chemical PPP method, its principles, assignment of tasks, treatment of results by bond orders, charges, spectra) Seminar (3 hrs) - computer program PISYSTEM Colour vision, description of human eye, rods and cones, colour vision Objective evaluation of colour, properties of colours, colour coordinates RGB and XYZ, colour triangle, objective evaluation of colour Optical brightening agents (OBA), physical principles of action, luminescence, structural classes of OBA, selected syntheses of OBA
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The student will learn theory of light (velocity and energy of light, wave and corpuscular properties of light), Schrödinger equation (models of exact solution for hydrogen atom, harmonic oscillator and rigid rotator), atomic and molecular orbitals, electronic absorption spectra, relationships between structure and colour of polyatomic molecules and objective evaluation of colour.
The student will be instructed on basics of quantum physics and relationships between structure and colour of organic molecules.
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