Chapter 6
Two-Dimensional Correlation
Spectroscopy
Mirosław A. Czarnecki and Shigeaki Morita
Abstract Two-dimensional (2D) correlation spectroscopy is a well-established
method for analysis of perturbation-induced spectral changes in various kinds of
data. Due to selective correlation of the peaks and resolution enhancement, it provides
useful information on the dynamics of spectral changes and enables more reliable
band assignments. The generalized 2D correlation approach permits to apply various
kinds of perturbations and makes possible for correlation between data obtained
from different experiments (hetero-correlation). At the beginning of this chapter are
shown the basic principles of 2D correlation spectroscopy together with the rules
for interpretation of the synchronous and asynchronous spectra. Next, we report
new developments in this method like sample–sample correlation spectroscopy and
perturbation–correlation moving-window 2D correlation spectroscopy. Finally, are
shown selected examples of successful applications of 2D correlation spectroscopy
for study of interactions and molecular structure.
Keywords 2D correlation spectroscopy · Sample–sample correlation
spectroscopy · Perturbation-correlation moving-window 2D correlation
spectroscopy · Applications of 2D correlation NIR spectroscopy
6.1 Introduction
Two-dimensional (2D) correlation spectroscopy was introduced to vibrational spectroscopy by Isao Noda in 1986 [1]. In its original form, this method was dedicated to
small-amplitude periodic perturbations, and hence, the area of its applications was
limited—mainly to polymer studies [2, 3]. A breakthrough has started in 1993 after
development of the generalized two-dimensional correlation spectroscopy (2DCOS)
M. A. Czarnecki (B)
Faculty of Chemistry, University of Wrocław, F. Joliot-Curie 14, 50-383 Wrocław, Poland
e-mail: miroslaw.czarnecki@chem.uni.wroc.pl
S. Morita
Faculty of Engineering, Osaka Electro-Communication University, Neyagawa, Japan
e-mail: smorita@isc.osakac.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_6
111
Two-Dimensional Correlation
Spectroscopy
Mirosław A. Czarnecki and Shigeaki Morita
Abstract Two-dimensional (2D) correlation spectroscopy is a well-established
method for analysis of perturbation-induced spectral changes in various kinds of
data. Due to selective correlation of the peaks and resolution enhancement, it provides
useful information on the dynamics of spectral changes and enables more reliable
band assignments. The generalized 2D correlation approach permits to apply various
kinds of perturbations and makes possible for correlation between data obtained
from different experiments (hetero-correlation). At the beginning of this chapter are
shown the basic principles of 2D correlation spectroscopy together with the rules
for interpretation of the synchronous and asynchronous spectra. Next, we report
new developments in this method like sample–sample correlation spectroscopy and
perturbation–correlation moving-window 2D correlation spectroscopy. Finally, are
shown selected examples of successful applications of 2D correlation spectroscopy
for study of interactions and molecular structure.
Keywords 2D correlation spectroscopy · Sample–sample correlation
spectroscopy · Perturbation-correlation moving-window 2D correlation
spectroscopy · Applications of 2D correlation NIR spectroscopy
6.1 Introduction
Two-dimensional (2D) correlation spectroscopy was introduced to vibrational spectroscopy by Isao Noda in 1986 [1]. In its original form, this method was dedicated to
small-amplitude periodic perturbations, and hence, the area of its applications was
limited—mainly to polymer studies [2, 3]. A breakthrough has started in 1993 after
development of the generalized two-dimensional correlation spectroscopy (2DCOS)
M. A. Czarnecki (B)
Faculty of Chemistry, University of Wrocław, F. Joliot-Curie 14, 50-383 Wrocław, Poland
e-mail: miroslaw.czarnecki@chem.uni.wroc.pl
S. Morita
Faculty of Engineering, Osaka Electro-Communication University, Neyagawa, Japan
e-mail: smorita@isc.osakac.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_6
111