Erratum

Abstract

“Use of Dendrograms of Slice Spectra as a New Graphical Tool for the Interpretation of Two-Dimensional Correlation Spectra”, by Kris De Gussem, Peter Vandenabeele, Annemieke Verbeken, and Luc Moens, Appl. Spectrosc.63, 73–80 (2009). It has been brought to the author's attention that the agreement mentioned in the paper with Huang's publication in Analytical Chemistry1 is incorrect. In the discussion in the “Simulation of a Realistic Model for Sequential Reactions” subsection of the Results and Discussion section, the differential equations for a virtual chemical system in which A reacts into B and B into C are discussed. When looked into more detail at their solutions, it has to be noticed that the spectral variations for product B are percentually the biggest in the beginning, followed by the variations in A and C (B > A > C), as opposed to what was reported (A > B > C). Hence, the sequential order rules predict the correct sequential order of events (B > A > C). Furthermore, after an in-depth check of the our program code, we found that the routine that was responsible for the creation of the 2D plots in the paper contained a bug. This resulted in the inversion of x- and y-coordinates of the peaks in the figures and the appearance of ghost peaks in Figs. 5B and 5C, e.g., on the asynchronous main diagonal due to the limited accuracy of computers. Figures 2C, 5B, and 5C are erroneous. The issues have been fixed.2 However, the affected code was not used for the deduction of results. Hence, all conclusions, besides the correspondence with Ref. 1, remain equal.