Wave Optics in Infrared Spectroscopy : Theory, Simulation, and Modeling.

Format:

Book

Author/Creator:

Mayerhöfer, Thomas G.

Language:

English

Subjects (All):

Infrared spectroscopy.

Physical optics.

Physical Description:

1 online resource (402 pages)

Edition:

1st ed.

Place of Publication:

San Diego : Elsevier Science & Technology, 2024.

Summary:

Wave Optics in Infrared Spectroscopy by Thomas G. Mayerhöfer explores the theoretical and practical aspects of infrared spectroscopy with a strong foundation in wave optics. The book covers topics such as scalar and vector theories, reflection and transmission of waves, dispersion relations, and tensorial theory. It delves into the mathematical modeling and simulation of infrared spectra, providing insights into the interaction of light with matter. Aimed at researchers and practitioners in fields like chemistry, physics, and materials science, the book seeks to enhance understanding of molecular dynamics through advanced optical techniques. Generated by AI.

Contents:

Intro

Wave Optics in Infrared Spectroscopy: Theory, Simulation, and Modeling

Copyright

Dedication

Contents

Foreword

Preface

Part I: Scalar theory

Chapter 1: What is wrong with absorbance?

References

Chapter 2: Transition from the Bouguer-Beer-Lambert approximation to wave optics and dispersion theory

2.1. The electric field and the electric displacement

2.2. The magnetic field and the magnetic induction

2.3. Maxwells equations in simplified form

2.3.1. 1st equation-Gausss law

2.3.2. 2nd equation-Faradays law of induction

2.3.3. 3rd equation-Gausss law for magnetism

2.3.4. 4th equation-Amperes circuital law

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

Chapter 3: The electromagnetic field

3.1. Maxwells relations

3.2. Boundary conditions

3.3. Energy density and flux

3.4. The wave equation

3.5. Polarized waves

3.6. Further reading

Chapter 4: Reflection and transmission of plane waves

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

4.2.1. s-Polarized light

4.2.2. p-Polarized light.

4.2.3. Calculation of reflectance and transmittance

4.2.4. Example: Dependence of the reflectance from the angle of 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 ref ...

4.5. Reflection and transmission at an interface separating two scalar media under nonnormal incidence-Matrix formalism

4.5.1. Matrix formulation for s-polarized waves at a single interface

4.5.2. Matrix formulation for p-polarized waves at a single interface

4.5.3. Combined matrix formulation for waves at a single interface

4.5.4. A layer sandwiched by two semiinfinite media

4.5.5. Arbitrary number of layers

4.5.6. Calculating the electric field strengths of a layered medium-Coherent layers

4.5.7. Incoherent layers

4.5.8. Mixed coherent and incoherent layers

4.5.9. Calculating the electric field strengths of a layered medium-Mixed coherent-incoherent multilayers

4.6. Further reading

Chapter 5: Dispersion relations

5.1. Dispersion relation-Uncoupled oscillator model

5.2. Excursus: Lorentz profile vs. Lorentz oscillator

5.3. Excursus: Dispersion relations and Beers approximation

5.4. Dispersion relation-Coupled oscillator model

5.5. Dispersion relation-Semi-empirical four-parameter models

5.5.1. Berreman-Unterwal model

5.5.2. Kim oscillator

5.5.3. Classical model with frequency-dependent damping constant

5.5.4. Classical model with complex oscillator strength

5.5.5. Convolution model

5.6. Dispersion relation-Inverse dielectric function model

5.7. Dispersion relation-Drude model

5.8. Kramers-Kronig relations and sum rules

5.8.1. The basics.

5.8.2. Determination of the optical constants directly from transmittance or reflectance

5.8.3. The sum rules

5.8.4. The dielectric and the refractive index background

5.9. Further reading

Chapter 6: Deviations from the (Bouguer-)Beer-Lambert approximation

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

6.7.1. Correction of the apparent absorbance

6.7.2. Dispersion analysis

6.8. Further reading

Chapter 7: Additional insights gained by wave optics and dispersion theory

7.1. Infrared refraction spectroscopy

7.2. Surface-enhanced infrared absorption (SEIRA)

7.3. Investigation of coupling effects

7.3.1. Indirect coupling

7.3.2. Direct coupling of oscillators

7.3.3. Strong coupling between vibrations and the electric field-Polaritons

7.4. Further reading

Chapter 8: 2D correlation analysis

8.1. Basics

8.2. Smart error sum

8.3. 2T2D smart error sum

8.4. Further reading

Chapter 9: Chemometrics

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

Chapter 10: Spectral mixing rules

10.1. Introduction

10.2. Lorentz-Lorenz theory

10.3. Maxwell-Garnett approximation

10.4. Bruggeman approximation

10.5. The Bergman representation.

10.5.1. Dipole interactions and resulting polarization in many-particle systems

10.5.2. Basic properties of the spectral density

10.5.3. Percolation

10.5.4. Dependence of the effective dielectric function on concrete spectral densities

10.6. Microheterogeneity and size dependence of spectral features

10.7. Further reading

Part II: Tensorial theory

Chapter 11: What is wrong with linear dichroism theory

Chapter 12: Reflection and transmission of plane waves from and through anisotropic media-Generalized 4x4 matrix formalism

12.1. Berremans formalism: Maxwell equations and constitutive relations

12.2. Berremans formalism: Calculation of the refractive indices and the polarization directions

12.3. Yehs formalism: Maxwell equations and constitutive relations

12.4. Yehs formalism: Calculation of the refractive indices and the polarization directions

12.5. The transfer matrix

12.6. The treatment of singularities

12.6.1. Degenerate eigenvalues

12.6.2. Singular form of the Dynamical Matrix

12.7. The calculation of reflectance and transmittance coefficients

12.8. Simplifications for special cases

12.8.1. Nonmagnetic (μ=1), dielectric anisotropic (εij=εji) material and normal incidence

12.8.2. Nonmagnetic (μ=1), dielectric (εij=εji) monoclinic material-a-c-plane

12.8.3. Nonmagnetic (μ=1), dielectric uniaxial (εij=εji, εa=εb) material

12.8.4. Nonmagnetic (μ=1), dielectric (εij=εji) uniaxial or orthorhombic material with principal orientations

12.8.5. Nonmagnetic (μ=1), biisotropic medium

12.9. Further reading

Chapter 13: Dispersion relations-Anisotropic oscillator models

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

Chapter 14: Dispersion analysis of anisotropic crystals-Examples

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

Chapter 15: Polycrystalline materials

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 consist ...

15.3. Large crystallites and nonrandom orientation

15.4. Further reading

Chapter 16: Vibrational circular dichroism

16.1. Introduction

16.2. Calculating the spectra of chiral materials

16.3. Chiral dispersion analysis

16.4. Further reading

Index

Back Cover.

Notes:

Description based on publisher supplied metadata and other sources.

Part of the metadata in this record was created by AI, based on the text of the resource.

ISBN:

9780443220326

0443220328

OCLC:

1436834484