Stephen J. Daunt, Robert Grzywacz

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Presentation transcript:

First High Resolution IR Study of the ν14 (A1) A-Type Band of 2-13C-Propene Near 421.847 cm-1 Stephen J. Daunt, Robert Grzywacz Dept. Physics & Astronomy, The University of Tennessee, Knoxville, TN Walter J. Lafferty Optical Technology Division, NIST, Gaithersburg, MD Jean-Marie Flaud Universités Paris Est Créteil et Paris Diderot, LISA, Créteil, France Brant Billinghurst Canadian Light Source, University of Saskatchewan, Saskatoon, SK, Canada

CLS Far-IR Beamline Brant 2m White cell Bruker IFS125 HR

Propene Impurity in 2-13C Sample CLS Survey of 330-500 cm-1 Propene Impurity in 2-13C Sample v14 2-13C-Propene v9 2-13C-Propane Room Temp; Res. = 0.0009 cm-1; P = 3.040 Torr; L = 72 meters

Cooled Cell (217.25K)-Water Lines Gone

V14 (A1) Band of 2-13C-Propene CLS Data PGO Calc.

Overlap of the v14 P Branch for 2-13C-Propene with the v9 R-Branch of 2-13C-Propane

Classic Type A Band (almost) P-Side R-Side qPK(J) = 7 6 5 4 3 2 1 qRK(J) = 3 4 5 6

Central Q- Branch Structure qQK J-Clumps K = 4 5 6 7 8 9 10 11 12 13 14 15 16 Strongest line is J = K Then J increases while degrading to the red

Quality of Fit as Seen on R-Side

Quality of Fit as Seen on P-Side

Perturbed Q Branch Structures 15 16 Ka = 17 18

2-13C-Propene v14 Residuals All Line Fit

Comparison GS Constants from All Line Fit to MW1 IR - This Work MW 1 Craig, Groner, Conrad, Gurusinghe & Tubergen, J. Mol. Spectrosc. 328, 1 (2016)

Acknowledgements UTK & Dept. of Physics & Astronomy Canadian Light Source and its support agencies (NSERC, USask, Province of Saskatchewan) NIST Jon Hougen, Bob McKellar, Colin Western, Dennis Tokaryk, Scott Goudreau,