COMPARISON OF EXPERIMENTAL AND THEORETICAL ABSORPTION CROSS SECTIONS OF PFBAm
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Abstract
We present a comparison of theoretical and experimental absorption cross sections of perfluorotributylamine (PFBAm). PFBAm is a fully-fluorinated liquid commonly used in electronic reliability and quality testing. PFBAm vapours can be considered potential greenhouse gases due being radiatively active in the mid-IR spectral region and having a long atmospheric lifetime. Theoretical density functional theory (DFT) calculations are done using the B3LYP method and the 6-311G(d,p) basis set. The calculations have determined the optimized geometrical configuration and IR intensities and wavenumbers of the harmonic frequencies for both PFBAm (N(CF2CF2CF2CF3)3) and its congener (F3CN(CF2CF2CF2CF3)2). \ Experimental cross sections are derived from Fourier transform spectroscopy performed from 600-1450 cm
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Author Institution: Department of Physics, University of Toronto, 60 St. George St., Toronto, ON, M5S 1A7, Canada; Department of Chemistry, University of Toronto, 80 St. George St., Toronto, ON, M5S 3H6, Canada; Department of Physics, St. Francis Xavier University, Antigonish, Nova Scotia, B2G 2W5, Canada; Department of Chemistry, University of Toronto, 80 St. George St., Toronto, ON, M5S 3H6, Canada; Department of Physics, University of Toronto, 60 St. George St., Toronto, ON, M5S 1A7, Canada