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Book Cover
E-book
Author Mallick, Prabal Kumar

Title Fundamentals of molecular spectroscopy / Prabal Kumar Mallick
Published Singapore : Springer, [2023]

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Description 1 online resource (496 p.)
Contents Intro -- Preface -- Contents -- List of Figures -- List of Tables -- 1 Introduction -- 1.1 Introduction -- 1.1.1 Born-Oppenheimer Approximation -- 1.1.2 Validity of Born-Oppenheimer Approximation -- 1.1.3 Estimation of Different Energies in Molecules -- 1.1.4 Energy-level Diagram -- 1.1.5 Breakdown of Born-Oppenheimer Approximation -- References and Suggested Reading -- 2 Rotational Spectra -- 2.1 Nuclear Wave Equation in Diatomic Molecules -- 2.2 Diatomic Molecule as a Rigid Rotator -- 2.3 Selection Rules and the Spectral Structure -- 2.4 Isotopic Effect in Rotational Spectra
2.5 Intensities of Rotational Lines -- 2.6 Non-rigid Rotator (A Semiclassical Approach) -- 2.7 Rotational Spectra of Polyatomic Molecules -- 2.7.1 Hamiltonian in Terms of Angular Momentums -- 2.7.2 Different Types of Rotating Molecules -- 2.8 Stark Effect -- 2.9 Quadrupole Hyperfine Structure in Molecules -- References and Suggested Reading -- 3 Infrared Spectra -- 3.1 Vibrational Energy Levels of a Diatomic Molecule Considered as a Simple Harmonic Oscillator -- 3.1.1 Selection Rules
3.2 Rotational-Vibrational Spectrum of a Diatomic Molecule with the Potential Function of a Simple Harmonic Oscillator -- 3.3 Anharmonic Oscillator and Morse Potential Function -- 3.4 Dissociation Energy -- References and Suggested Reading -- 4 Raman Spectroscopy -- 4.1 Classical Explanation of Raman Scattering -- 4.1.1 Polarizability Ellipsoid and Raman Activity -- 4.2 Quantum Theoretical Explanation -- 4.3 Selection Rules of Rotational Raman Spectra -- 4.3.1 Rotational Raman Spectra of Diatomic Molecules -- 4.3.2 Rotational Raman Spectra of Polyatomic Molecules
4.4 Symmetry Properties of Wave Functions -- 4.4.1 Effect of Nuclear Spins -- 4.5 Selection Rules and Characteristics of Vibrational Raman Spectra of Diatomic Molecules -- 4.5.1 Rotational Vibrational Raman Spectra -- 4.6 Raman Intensities -- 4.7 Surface Enhanced Raman Scattering (SERS) -- References and Suggested Reading -- 5 Vibrational Spectra of Polyatomic Molecules -- 5.1 Normal Coordinates (Classical Description) -- 5.2 Normal Coordinates (Quantum Mechanical Description) -- 5.3 Selection Rules -- 5.3.1 Selection Rules for the Infrared Spectra -- 5.3.2 Selection Rules for the Raman Spectra
5.4 Normal Modes of a Linear Symmetric Triatomic Molecule -- 5.4.1 Parallel Bands -- 5.4.2 Perpendicular Bands -- 5.5 Normal Modes of an Asymmetric Linear Triatomic Molecule -- 5.6 Normal Coordinate Calculation by the Method of Wilson -- 5.6.1 Internal Coordinate -- 5.6.2 Determination of s-vectors -- 5.6.3 G-Matrix and Kinetic Energy -- 5.6.4 Potential Energy in Terms of Internal Coordinates and the Secular Equation -- 5.7 Molecular Symmetry and Vibrational Problems -- 5.8 Fourier Transform Spectroscopy -- Appendix -- s-Vectors for Torsional Vibrations -- References and Suggested Reading
Summary This book presents detailed aspects of different fields of molecular spectroscopy. It consists of eleven chapters starting from the BornOppenheimer approximation and its relevance to various spectra to some topics on nonlinear spectroscopy through rotational, vibrational, Raman, and electronic spectroscopy, group theoretical application, nuclear magnetic resonance, electron spin resonance, nuclear quadrupole resonance, and Mossbauer spectroscopy. The intention is to present a good background of the theoretical aspects of the concerned fields which will help the readers to understand the subject firmly and apply them to their own fields according to their needs. For this purpose, several problems have been worked out to make the readers understand how the theories are applied in the relevant practical cases. In this book, it is presumed that the readers are well acquainted with the fundamentals of the basic subjects of physics, for example, mathematical methods, classical mechanics, quantum mechanics, statistical mechanics, and electrodynamics. The purpose of writing is not only to bring a wider field in a single book but also to develop the theories starting from the fundamentals and also from the simple to the final forms through fairly elaborate powerful techniques so that the readers become self-sufficient and apply them accordingly. Since this book covers most of the major fields of molecular spectroscopy, it reduces the work of searching several publications and serves the purpose of getting detailed deductive pictures of various aspects of the subject in a single publication
Notes 6 Electronic Spectra of Diatomic Molecules
Bibliography Includes bibliographical references and index
Notes Description based on online resource; title from digital title page (viewed on July 25, 2023)
Subject Molecular spectroscopy.
Molecular spectroscopy
Form Electronic book
ISBN 9789819907915
9819907918