Comment on "Propionaldehyde infrared cross–sections and band strengths" by B. Köroğlu et al. [1]
Creators
Description
The propionaldehyde infrared regional integrated area reported by Köroğlu 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 ln 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. - Highlights: • An inconsistency for propionaldehyde band strengths is clarified. • Revised values are reported for the four spectral regions originally examined. • Good agreement with related molecules and ab initio results is now achieved.
Availability note (English)
Available from http://dx.doi.org/10.1016/j.jqsrt.2016.03.032Additional details
Identifiers
- DOI
- 10.1016/j.jqsrt.2016.03.032;
- PII
- S0022-4073(16)30135-2;
Publishing Information
- Journal Title
- Journal of Quantitative Spectroscopy and Radiative Transfer
- Journal Volume
- 179
- Journal Page Range
- p. 137-138
- ISSN
- 0022-4073
- CODEN
- JQSRAE
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 48010773
- Subject category
- S73: NUCLEAR PHYSICS AND RADIATION PHYSICS; S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- ACETALDEHYDE; ACETONE; COMPARATIVE EVALUATIONS; CROSS SECTIONS; FOURIER TRANSFORM SPECTROMETERS; INFRARED SPECTRA; MOLECULES; SCALING
- Descriptors DEC
- ALDEHYDES; EVALUATION; KETONES; MEASURING INSTRUMENTS; ORGANIC COMPOUNDS; SPECTRA; SPECTROMETERS
Optional Information
- Copyright
- Copyright (c) 2016 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.