Continuing progress in the field of two-dimensional correlation spectroscopy (2D-COS), part II. Recent noteworthy developments

Molecular in situ monitoring of the pH-triggered response in adaptive polymers by two-dimensional Raman micro-correlation-spectroscopy

“…, not strictly decreasing) functions that are not easily analyzed visually. 2DCOS is a well-established method to analyze sets of spectra recorded under external perturbation (in this case time after addition of the activation mixture) in general, 39–42 and in the study of smart polymers in particular. 21,22 2DCOS results are usually displayed in the form of contour plots, that depict the real (synchronous, Φ ) and imaginary (asynchronous, Ψ ) parts of the complex correlation function.…”

“…Since 2DCOS uses a well-dened mathematical approach to get this information it is less susceptible to subjective interpretation as, e.g., plotting kinetic traces or difference spectra and can also deal with more complex response (e.g., not strictly decreasing) functions that are not easily analyzed visually. 2DCOS is a wellestablished method to analyze sets of spectra recorded under external perturbation (in this case time aer addition of the activation mixture) in general, [39][40][41][42] and in the study of smart polymers in particular. 21,22 2DCOS results are usually displayed in the form of contour plots, that depict the real (synchronous, F) and imaginary (asynchronous, J) parts of the complex correlation function.…”

Temperature-Dependent Vibrational Dynamics of Rutile (TiO2) from Molecular Dynamics Simulations and Two-Dimensional Correlation Analysis Techniques

“…An excellent method that enables the significant extension of spectroscopic techniques, in the sense of obtaining new information related not only to the band assignments but also to the sequential order of changes upon the action of a certain external perturbation, is the so-called two-dimensional correlation approach, devised initially by Noda for a range of specific applications [5,6], and later generalized for essentially any spectroscopic technique [7][8][9]. The generalized 2D COS approach has been applied to a range of problems by the thorough analysis of the experimental spectroscopic data ( [10][11][12][13][14] and references therein). In the present study, we extend the applicability of the generalized 2D COS technique to an analysis of data generated by molecular dynamics simulations, using temperature as an external perturbation parameter.…”