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|Title:||Comment On "propionaldehyde Infrared Cross-sections And Band Strengths" By B. Koroglu Et Al. |
Wagner Eduardo; Bruns
|Abstract:||The propionaldehyde infrared regional integrated area reported by Koroglu et al. were re-examined. Even though the spectrum seems to be recorded correctly, the comparison between their values with the data obtained by the integration of the propionaldehyde spectrum available in the PNNL database suggests that a scaling factor of 2.3025 (the ratio between In and log bases) is the reason for their results being lower than those expected based on other literature values and quantum chemical estimates. Revised values were then reported for the four spectral regions evaluated by these authors, resulting in a much better agreement between both theoretical and experimental results for not only for this molecule but also for others like acetone and acetaldehyde. (C) 2016 Elsevier Ltd. All rights reserved.|
Integrated Band Intensities
|Editor:||Pergamon-Elsevier Science LTD|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
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