Larsson Chemical Physics

Electrons and Excitations
1. Auflage 2012
ISBN: 978-1-4398-2252-4
Verlag: Taylor & Francis
Format: PDF
Kopierschutz: Adobe DRM (»Systemvoraussetzungen)

E-Book, Englisch, 529 Seiten

A full understanding of modern chemistry is impossible without quantum theory. Since the advent of quantum mechanics in 1925, a number of chemical phenomena have been explained, such as electron transfer, excitation energy transfer, and other phenomena in photochemistry and photo-physics. Chemical bonds can now be accurately calculated with the help of a personal computer.

Addressing students of theoretical and quantum chemistry and their counterparts in physics, Chemical Physics: Electrons and Excitations introduces chemical physics as a gateway to fields such as photo physics, solid-state physics, and electrochemistry. Offering relevant background in theory and applications, it covers the foundations of quantum mechanics and molecular structure, as well as more specialized topics such as transfer reactions and photochemistry.

Zielgruppe

Chemistry and physics students and practitioners with an interest in the fields of chemical physics and related areas.

Autoren/Hrsg.

Larsson, Sven

Fachgebiete

• Naturwissenschaften Physik Angewandte Physik Chemische Physik
• Naturwissenschaften Chemie Physikalische Chemie Quantenchemie, Theoretische Chemie

Inhaltsverzeichnis

Quantum Theory
Introduction
Electromagnetic Radiation
Electrons
Time-Independent Schrodinger Equation
Mathematical Background
Variation Principle: Linear Expansion
Spin
Many-Electron Theory

Atoms
Atomic Units
Hydrogen Atom
Equation of Motion for Single Electrons
Correlation and Multiplet Theory
Atoms in Chemistry

Molecules
Introduction
Chemical Bonding
Polyatomic Molecules
Hueckel Model for Aromatic Hydrocarbons
Excited States

Nuclear Motion
Introduction
Separation of Electronic and Nuclear Coordinates
Classical Molecular Dynamics
Quantization of Vibrations
Vibrational Spectra
Vibrations in Electronic Spectra
PES Crossing

Statistical Mechanics
Introduction
Partition Function and Thermodynamic Properties
Internal Energy and Heat Capacity in Gas Phase
Chemical Reactions
Equilibrium Statistical Mechanics Using Ensembles
Nonequilibrium Statistical Mechanics

Ions in Crystals and in Solution
Introduction
Ions in Aqueous Solution
Crystals
Crystal Field Theory for Transition Metal Ions
Ligand Field Theory

Time-dependent Quantum Mechanics
Introduction
Wave Equation
Time Dependence as a Perturbation

Chemical Kinetics
Introduction
Rate of Chemical Reactions
Integrated Rate Equations
Consecutive Reactions
Proton Transfer
Introduction
Hydrogen Bonding
Proton Transfer

Electron Transfer Reactions
Introduction
Homogeneous ET Reactions
Electrochemistry
Marcus Parabolic Model for ET
Rate of ET Reactions
Electronic Coupling
Disproportionation
Quantized Nuclear Motion

Biological Electron Transfer
Introduction
The Living System
Electron Carriers and Other Functional Groups
Biological Electron Transfer

Photophysics and Photochemistry
Introduction
Photophysics
Molecular Photophysics
Rate Measurements
Photochemistry: Mechanisms

Photoinduced Electron Transfer
Introduction
Charge Transfer Transition in Spectra
Polarization Energy
Intermolecular and Intramolecular PIET
Molecular Photovoltaics

Excitation Energy Transfer
Introduction
Excited States of Bichromophores
Transition Moments
Fluorescence Resonance Energy Transfer

Photosynthesis
Introduction
Molecules of Photosynthesis
Antenna Systems
Bacterial Reaction Centers
Green Plant Photosynthesis

Metals and Semiconductors
Introduction
Free Electron Models and Conductivity
Tight-Binding Model
Localization–Delocalization
Semiconductors
Phonons

Conductivity by Electron Pairs
Introduction
Superconductivity
Coupling and Correlation in Electron Pair Transfer
MV-3 Systems in the State Overlap Region
Pair Conductivity in the Ground State

Conductivity in Organic Systems
Introduction
Organic Semiconductors
Stacked, Conducting p Systems
Conducting Polymers
Electronic Structure of One-Dimensional Crystals

Bibliography
Appendix
Index

Über Autor(innen)

Sven Larsson is professor emeritus in Theoretical Chemistry at Chalmers University of Technology, Sweden. He has been teaching Physical Chemistry, Chemical Physics, and Quantum Chemistry for physicists and chemists for many years. His research has been directed to the theoretical description of problems in chemistry and biochemistry (photosynthesis, vision, and electron transfer), and solid state chemistry (conductivity and magnetism).