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Wave Optics in Infrared Spectroscopy
Theory, Simulation, and Modeling
- 1st Edition - May 23, 2024
- Author: Thomas G. Mayerhöfer
- Language: English
- Paperback ISBN:9 7 8 - 0 - 4 4 3 - 2 2 0 3 1 - 9
- eBook ISBN:9 7 8 - 0 - 4 4 3 - 2 2 0 3 2 - 6
Wave Optics in Infrared Spectroscopy starts where conventional books about infrared spectroscopy end. Whereas the latter are based on the Bouguer-Beer-Lambert law, the cornersto… Read more
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Request a sales quoteWave Optics in Infrared Spectroscopy starts where conventional books about infrared spectroscopy end. Whereas the latter are based on the Bouguer-Beer-Lambert law, the cornerstones of this book are wave optics and dispersion theory.
This gap between both levels of theory is bridged to allow a seamless transition from one to the other. Based on these foundations, the reader is able to choose which level of theory is adequate for the particular problem at hand. Advanced topics like 2D correlation analysis, chemometrics and strong coupling are introduced and viewed from a wave optics perspective. Spectral mixing rules are also considered to better understand spectra of heterogeneous samples. Finally, optical anisotropy is examined to allow a better understanding of spectral features due to orientation and orientational averaging. This discussion is based on a 4 x 4 matrix formalism, which is used not only to simulate and analyze complex materials, but also to understand vibrational circular dichroism from a (semi-) classical point of view.
Wave Optics in Infrared Spectroscopy is written as a tool to reunite the fragmented field of infrared spectroscopy. It will appeal to chemists, physicists, and chemical/optical engineers.
- Assists the reader (including those with less physical science backgrounds) in using more of the extensive benefits that infrared spectroscopy can provide by making them better aware and informed about the higher-level theory
- Foundations of the book are built on wave optics and dispersion theory versus the Bouguer-Beer-Lambert law of conventional infrared spectroscopy literature
- Limits of lower level of theory are explained in detail
- Provides a thorough introduction to more sophisticated topics with a smooth transition from lower to higher-level theory
Chemists, physicists, astronomers, and chemical/optical engineers who work in the field of Infrared Spectroscopy
- Cover image
- Title page
- Table of Contents
- Copyright
- Dedication
- Foreword
- Preface
- Part I: Scalar theory
- Chapter 1 What is wrong with absorbance?
- Abstract
- References
- Chapter 2 Transition from the Bouguer-Beer-Lambert approximation to wave optics and dispersion theory
- Abstract
- 2.1 The electric field and the electric displacement
- 2.2 The magnetic field and the magnetic induction
- 2.3 Maxwell’s equations in simplified form
- 2.4 Deriving the wave equation
- 2.5 One-dimensional and harmonic waves
- 2.6 Harmonic molecular vibrations and the dielectric function
- 2.7 The Kramers-Kronig relations
- 2.8 The influence of absorption on the electromagnetic waves
- 2.9 Reflection and transmission at an interface separating two scalar media under normal incidence
- 2.10 Transmission through a thick slab suspended in vacuum
- 2.11 Transmission through a thin slab suspended in vacuum
- 2.12 Transmission through a layer on a substrate suspended in vacuum
- 2.13 Scalar and vector fields
- 2.14 Further reading
- References
- Chapter 3 The electromagnetic field
- Abstract
- 3.1 Maxwell’s relations
- 3.2 Boundary conditions
- 3.3 Energy density and flux
- 3.4 The wave equation
- 3.5 Polarized waves
- 3.6 Further reading
- References
- Chapter 4 Reflection and transmission of plane waves
- Abstract
- 4.1 Reflection and transmission at an interface separating two scalar media under normal incidence
- 4.2 Reflection and transmission at an interface separating two scalar semiinfinite media under nonnormal incidence
- 4.3 Reflection and transmission at an interface separating two scalar media under nonnormal incidence-absorbing media
- 4.4 Reflection and transmission at an interface separating two scalar media under nonnormal incidence—Total/internal reflection
- 4.5 Reflection and transmission at an interface separating two scalar media under nonnormal incidence—Matrix formalism
- 4.6 Further reading
- References
- Chapter 5 Dispersion relations
- Abstract
- 5.1 Dispersion relation—Uncoupled oscillator model
- 5.2 Excursus: Lorentz profile vs. Lorentz oscillator
- 5.3 Excursus: Dispersion relations and Beer’s approximation
- 5.4 Dispersion relation—Coupled oscillator model
- 5.5 Dispersion relation—Semi-empirical four-parameter models
- 5.6 Dispersion relation—Inverse dielectric function model
- 5.7 Dispersion relation—Drude model
- 5.8 Kramers-Kronig relations and sum rules
- 5.9 Further reading
- References
- Chapter 6 Deviations from the (Bouguer-) Beer-Lambert approximation
- Abstract
- 6.1 Transmittance of a slab embedded in vacuum/air
- 6.2 Transmittance of a free-standing film embedded in vacuum/air
- 6.3 Reflection of a layer on a highly reflecting substrate—Transflection
- 6.4 Transmission of a layer on a transparent substrate
- 6.5 Attenuated total reflection
- 6.6 Mixing rules
- 6.7 How to correct the deviations and to obtain a wave-optics conform solution
- 6.8 Further reading
- References
- Chapter 7 Additional insights gained by wave optics and dispersion theory
- Abstract
- 7.1 Infrared refraction spectroscopy
- 7.2 Surface-enhanced infrared absorption (SEIRA)
- 7.3 Investigation of coupling effects
- 7.4 Further reading
- References
- Chapter 8 2D correlation analysis
- Abstract
- 8.1 Basics
- 8.2 Smart error sum
- 8.3 2T2D smart error sum
- 8.4 Further reading
- References
- Chapter 9 Chemometrics
- Abstract
- 9.1 Introduction
- 9.2 Classical least squares (CLS) regression
- 9.3 Inverse least squares (ILS) regression
- 9.4 Principal component analysis (PCA)/principal component regression (PCR)
- 9.5 Multivariate curve resolution (MCR)-alternating least squares (ALS)
- 9.6 Further reading
- References
- Chapter 10 Spectral mixing rules
- Abstract
- 10.1 Introduction
- 10.2 Lorentz-Lorenz theory
- 10.3 Maxwell-Garnett approximation
- 10.4 Bruggeman approximation
- 10.5 The Bergman representation
- 10.6 Microheterogeneity and size dependence of spectral features
- 10.7 Further reading
- References
- Part II: Tensorial theory
- Chapter 11 What is wrong with linear dichroism theory
- Abstract
- References
- Chapter 12 Reflection and transmission of plane waves from and through anisotropic media—Generalized 4 × 4 matrix formalism
- Abstract
- 12.1 Berreman’s formalism: Maxwell equations and constitutive relations
- 12.2 Berreman’s formalism: Calculation of the refractive indices and the polarization directions
- 12.3 Yeh’s formalism: Maxwell equations and constitutive relations
- 12.4 Yeh’s formalism: Calculation of the refractive indices and the polarization directions
- 12.5 The transfer matrix
- 12.6 The treatment of singularities
- 12.7 The calculation of reflectance and transmittance coefficients
- 12.8 Simplifications for special cases
- 12.9 Further reading
- References
- Chapter 13 Dispersion relations—Anisotropic oscillator models
- Abstract
- 13.1 Cubic crystal system
- 13.2 Optically uniaxial: Tetragonal, hexagonal, and trigonal crystal systems
- 13.3 Orthorhombic crystals
- 13.4 Monoclinic crystals
- 13.5 Triclinic crystals
- 13.6 Generalized oscillator models
- 13.7 Further reading
- References
- Chapter 14 Dispersion analysis of anisotropic crystals—Examples
- Abstract
- 14.1 Optically uniaxial crystals
- 14.2 Orthorhombic crystals
- 14.3 Monoclinic crystals
- 14.4 Excursus: Perpendicular modes
- 14.5 Triclinic crystals
- 14.6 Generalized dispersion analysis
- 14.7 Further reading
- References
- Chapter 15 Polycrystalline materials
- Abstract
- 15.1 How to calculate reflectance and transmittance for random orientation
- 15.2 Optical properties of randomly oriented polycrystalline materials with large crystallites compared to those consisting of small crystallites
- 15.3 Large crystallites and nonrandom orientation
- 15.4 Further reading
- References
- Chapter 16 Vibrational circular dichroism
- Abstract
- 16.1 Introduction
- 16.2 Calculating the spectra of chiral materials
- 16.3 Chiral dispersion analysis
- 16.4 Further reading
- References
- Index
- No. of pages: 464
- Language: English
- Edition: 1
- Published: May 23, 2024
- Imprint: Elsevier Science
- Paperback ISBN: 9780443220319
- eBook ISBN: 9780443220326
TM
Thomas G. Mayerhöfer
Thomas Mayerhöfer studied chemistry at the University of Regensburg, Germany where he received his diploma in 1996. He obtained his PhD from the Friedrich-Schiller University in Jena, Germany in 1999. In 2006 he finished his habilitation in physical chemistry on the "Optics and IR-Spectroscopy of Polydomain Materials". Since the end of 2007, he has worked at the Leibniz Institute of Photonic Technology in Jena, Germany. One of his main areas of interest is on reuniting and advancing the fragmented field of IR spectroscopy based on wave optics and dispersion theory. He has authored more than 100 peer-reviewed papers, predominantly as first author.
Affiliations and expertise
Senior Researcher, Leibniz Institute of Photonic Technology, GermanyRead Wave Optics in Infrared Spectroscopy on ScienceDirect