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

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 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

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.