Quantum chemistry spectroscopy pdf

Introducing Electron Spin The Essentials of Atomic Spectroscopy Analytical Techniques Based on Atomic Spectroscopy The Doppler Effect The Helium—Neon Laser The Chemical Bond in Diatomic Molecules Generating Molecular Orbitals from Atomic Orbitals Homonuclear Diatomic Molecules Electronic Structure of Many-Electron Molecules Heteronuclear Diatomic Molecules The Molecular Electrostatic Potential Constructing Hybrid Orbitals for Nonequivalent Ligands Using Hybridization to Describe Chemical Bonding From Molecules to Solids Making Semiconductors Conductive at Room Temperature Electronic Spectroscopy The Energy of Electronic Transitions Molecular Term Symbols Transitions between Electronic States of Diatomic Molecules Transitions among the Ground and Excited States Singlet—Singlet Transitions: Absorption and Fluorescence Intersystem Crossing and Phosphorescence Fluorescence Spectroscopy and Analytical Chemistry Ultraviolet Photoelectron Spectroscopy Single-Molecule Spectroscopy Fluorescent Resonance Energy Transfer Linear and Circular Dichroism Computational Chemistry The Promise of Computational Chemistry Potential Energy Surfaces Properties of Limiting Hartree—Fock Models Theoretical Models and Theoretical Model Chemistry Moving Beyond Hartree—Fock Theory Gaussian Basis Sets Selection of a Theoretical Model It familiarizes them with coordination compounds which find manifold applications in diverse fields.

This course also disseminates the concepts and methodology of quantum mechanics, its applications to spectroscopy and establishes relation between structure determination and spectra. Sc, B. Tech, M. Tech branch to enhance more knowledge about the subject and to score better marks in the exam. Transition Elements 3d series : General properties of elements of 3d series with special reference to electronic configuration, variable valency, colour, magnetic and catalytic properties and ability to form complexes.

A brief introduction to Latimer diagrams Mn, Fe and Cu and their use to identify oxidizing, reducing species and species which disproportionate. Calculation of skip step potentials. Lanthanoids and actinoids: Electronic configurations, oxidation states displayed. A very brief discussion of colour and magnetic properties.

Lanthanoid contraction causes and consequences , separation of lanthanoids by ion-exchange method. Coordination Chemistry: Brief discussion with examples of types of ligands, denticity and concept of chelate. IUPAC system of nomenclature of coordination compounds mononuclear and binuclear involving simple monodentate and bidentate ligands. Structural and stereoisomerism in complexes with coordination numbers 4 and 6. Drawbacks of VBT.

Crystal Field Theory: Splitting of d orbitals in octahedral symmetry. Crystal field effects for weak and strong fields. Crystal field stabilization energy CFSE , concept of pairing energy.

Blackbody Radiation. Photoelectric Effect. Rydberg Formula. Bohr Hydrogen Model 1: Radius. Bohr Hydrogen Model 2: Energy. Wave-Particle Duality. Heisenberg Uncertainty Principle in Measurement. Classical Wave Equation. Vibrating String. Vibrating String Animation. Schrodinger Equation "Derivation". Eigenvalues and Eigenfunctions. Interpreting the Wavefunction.

Particle in a Box. Particle in a Box Wavefunction Plots. UV-Vis Spectra of Polyenes. Average Position. Average Momentum. Postulates of Quantum Mechanics 1: Wavefunction. Postulates of Quantum Mechanics 2: Operators. Postulates of Quantum Mechanics 3: Measurement. Postulates of Quantum Mechanics 4: Expectation Values. Postulates of Quantum Mechanics 5: Schrodinger Equation.

Hermitian Operators. Dirac Notation. Superposition Principle 1: Basis Sets. Superposition Principle 2: Expectation Values. Superposition Principle 3: Example. Commuting Operators. Time Dependence. Time Dependence Animation. Wavefunction Collapse. Schrodinger's Cat. Correspondence Principle. Harmonic Oscillator Model. Classical Harmonic Oscillator 1: Trajectory. Classical Harmonic Oscillator 2: Energy. Reduced Mass. Harmonic Oscillator Energy Levels. Diatomic Infrared Spectra. Anharmonicity and Overtones.

Harmonic Oscillator Wavefunctions. Even and Odd Functions. Harmonic Oscillator Even and Odd Functions. Polyatomic Molecular Vibrations.

Rigid Rotor Model. Rotation Operators. Rigid Rotor Energy Levels. Diatomic Microwave Spectra. Rovibrational Energy Levels.

Diatomic Rovibrational Spectra. Microwave Spectroscopy Example. Rotation-Vibration Interaction. Centrifugal Distortion. Rigid Rotor Wavefunctions. Orthonormality of Spherical Harmonics. Angular Momentum Eigenvalues. Hydrogen Atom Model.