Chapter 13
Overview of Application of NIR
Spectroscopy to Physical Chemistry
Mirosław A. Czarnecki, Krzysztof B. Be´ c, Justyna Grabska,
Thomas S. Hofer, and Yukihiro Ozaki
Abstract Near-infrared (NIR) spectroscopy is a powerful tool in studies of physicochemical properties of various kinds of samples. In particular, NIR spectroscopy
contributed considerable to our understanding of intermolecular interactions (e.g.
hydrogen bonding), molecular structure, solvent effect, clustering, phase transitions,
kinetics. Because of mechanical and electrical anharmonicity of molecular vibrations, NIR spectra provide unique information not available from the other spectral
regions. On the other hand, to elucidate useful information from NIR spectra, more
sophisticated methods of data analysis than those applied in mid-infrared (mid–
IR, MIR) region are necessary. This chapter presents selected examples demonstrating the variety of problems in the field of physical chemistry that have been
studied by NIR spectroscopy.
Keywords Physical chemistry · NIR spectroscopy · Anharmonicity · Hydrogen
bonding · Molecular structure · Intermolecular interactions · Solutions
M. A. Czarnecki
Faculty of Chemistry, University of Wrocław, F. Joliot-Curie 14, 50-383 Wrocław, Poland
e-mail: miroslaw.czarnecki@chem.uni.wroc.pl
K. B. Be´ c (B) · J. Grabska
Institute of Analytical Chemistry and Radiochemistry, Leopold-Franzens University,
CCB-Center for Chemistry and Biomedicine, Innrain 80/82, 6020 Innsbruck, Austria
e-mail: Krzysztof.Bec@uibk.ac.at
J. Grabska
e-mail: Justyna.Grabska@uibk.ac.at
T. S. Hofer
Institute of General, Inorganic and Theoretical Chemistry, Leopold-Franzens University,
CCB-Center for Chemistry and Biomedicine, Innrain 80/82, 6020 Innsbruck, Austria
e-mail: t.hofer@uibk.ac.at
Y. Ozaki
Department of Chemistry, School of Science and Technology, Kwansei Gakuin University,
2-1 Gakuen, Sanda, Hyogo 669-1337, Japan
e-mail: ozaki@kwansei.ac.jp
© Springer Nature Singapore Pte Ltd. 2021
Y. Ozaki et al. (eds.), Near-Infrared Spectroscopy,
https://doi.org/10.1007/978-981-15-8648-4_13
297
Overview of Application of NIR
Spectroscopy to Physical Chemistry
Mirosław A. Czarnecki, Krzysztof B. Be´ c, Justyna Grabska,
Thomas S. Hofer, and Yukihiro Ozaki
Abstract Near-infrared (NIR) spectroscopy is a powerful tool in studies of physicochemical properties of various kinds of samples. In particular, NIR spectroscopy
contributed considerable to our understanding of intermolecular interactions (e.g.
hydrogen bonding), molecular structure, solvent effect, clustering, phase transitions,
kinetics. Because of mechanical and electrical anharmonicity of molecular vibrations, NIR spectra provide unique information not available from the other spectral
regions. On the other hand, to elucidate useful information from NIR spectra, more
sophisticated methods of data analysis than those applied in mid-infrared (mid–
IR, MIR) region are necessary. This chapter presents selected examples demonstrating the variety of problems in the field of physical chemistry that have been
studied by NIR spectroscopy.
Keywords Physical chemistry · NIR spectroscopy · Anharmonicity · Hydrogen
bonding · Molecular structure · Intermolecular interactions · Solutions
M. A. Czarnecki
Faculty of Chemistry, University of Wrocław, F. Joliot-Curie 14, 50-383 Wrocław, Poland
e-mail: miroslaw.czarnecki@chem.uni.wroc.pl
K. B. Be´ c (B) · J. Grabska
Institute of Analytical Chemistry and Radiochemistry, Leopold-Franzens University,
CCB-Center for Chemistry and Biomedicine, Innrain 80/82, 6020 Innsbruck, Austria
e-mail: Krzysztof.Bec@uibk.ac.at
J. Grabska
e-mail: Justyna.Grabska@uibk.ac.at
T. S. Hofer
Institute of General, Inorganic and Theoretical Chemistry, Leopold-Franzens University,
CCB-Center for Chemistry and Biomedicine, Innrain 80/82, 6020 Innsbruck, Austria
e-mail: t.hofer@uibk.ac.at
Y. Ozaki
Department of Chemistry, School of Science and Technology, Kwansei Gakuin University,
2-1 Gakuen, Sanda, Hyogo 669-1337, Japan
e-mail: ozaki@kwansei.ac.jp
© Springer Nature Singapore Pte Ltd. 2021
Y. Ozaki et al. (eds.), Near-Infrared Spectroscopy,
https://doi.org/10.1007/978-981-15-8648-4_13
297