Temperature-dependent absorption cross-sections of perfluorotributylamine
| Autor: | Paul J. Godin, Angela C. Hong, Kimberly Strong, Scott A. Mabury, Alex Cabaj, Karine Le Bris, Stephanie Conway |
|---|---|
| Rok vydání: | 2016 |
| Předmět: |
Materials science
010304 chemical physics 010504 meteorology & atmospheric sciences Absorption cross section Perfluorotributylamine Atmospheric temperature range 01 natural sciences Atomic and Molecular Physics and Optics Fourier transform spectroscopy chemistry.chemical_compound Nuclear magnetic resonance chemistry 13. Climate action 0103 physical sciences Radiative transfer Density functional theory Physical and Theoretical Chemistry Atomic physics Absorption (electromagnetic radiation) Spectroscopy Basis set 0105 earth and related environmental sciences |
| Zdroj: | Journal of Molecular Spectroscopy. 323:53-58 |
| ISSN: | 0022-2852 |
| Popis: | Cross-sections of perfluorotributylamine (PFTBA) were derived from Fourier transform spectroscopy at 570–3400 cm −1 with a resolution of 0.1 cm −1 over a temperature range of 298–344 K. These results were compared to theoretical density functional theory (DFT) calculations and to previous measurements of PFTBA made at room temperature. DFT calculations were performed using the B3LYP method and the 6-311G(d,p) basis set. We find good agreement between our experimentally derived results, DFT calculations, and previously published data. No significant temperature dependence in the PFTBA cross-sections was observed for the temperature range studied. We calculate an average integrated band strength of 7.81 × 10 −16 cm/molecule for PFTBA over the spectral range studied. Radiative efficiencies (RE) and global warming potentials (GWP) for PFTBA were also derived. The calculated radiative efficiencies show no dependence on temperature and agree with prior publications. We find an average RE of 0.77 Wm −2 ppbv −1 and a range of GWP from 6874 to 7571 depending on the lifetime used. Our findings are consistent with previous studies and increase our confidence in the value of the GWP of PFTBA. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full Text from ScienceDirect