Extended measurements and an experimental accuracy effective Hamiltonian model for the 3ν2 and ν2+ν4 states of ammonia
Yu, Shanshan
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1119717.pptx
3051.pdf
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https://hdl.handle.net/2142/100483
Description
Title
Extended measurements and an experimental accuracy effective Hamiltonian model for the 3ν2 and ν2+ν4 states of ammonia
Author(s)
Yu, Shanshan
Contributor(s)
Pirali, Olivier
Drouin, Brian
Sung, Keeyoon
Pearson, John
Pearson, Jeniveve
Issue Date
2018-06-21
Keyword(s)
Mini-symposium: Far-Infrared Spectroscopy
Date of Ingest
2018-08-17T16:08:57Z
2018-12-12T22:37:42Z
Abstract
The infrared spectrum of ammonia has proven to be highly problematic for effective Hamiltonian analysis. As a result, previous studies failed to model the 3ν2 and ν2 + ν4 bands of the spectrum close to experimental accuracy. To remedy this a global fit of the 3ν2 and ν2 + ν4 bands has been undertaken using SPFIT. The analysis includes about 1000 newly assigned vibrational transitions in 3ν2 to 2ν2 as well as inversion transitions in 3ν2 to 3ν2. The spectra were a long path infrared absorption spectrum recorded with the Synchrotron light source at SOLEIL, with a path length of 180 m and a resolution of 0.0011 cm−1 at room temperature and 1 Torr of pressure, and a mid-infrared discharge spectrum recorded similarly at SOLEIL, with a path length of 0.7 m and resolution .004 cm−1 at 10 Torr and 900 K. Our fit has achieved experimental accuracy through the use of a number of terms that had not previously been in the Hamiltonian proving that ammonia is tractable to effective Hamiltonians despite previous beliefs.
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1119717.pptx
3051.pdf
