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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
Subject(s):Mini-symposium: Far-Infrared Spectroscopy
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 3$\nu_2$ and $\nu_2+\nu_4$ bands of the spectrum close to experimental accuracy. To remedy this a global fit of the 3$\nu_2$ and $\nu_2+\nu_4$ bands has been undertaken using SPFIT. The analysis includes about 1000 newly assigned vibrational transitions in 3$\nu_2$ to 2$\nu_2$ as well as inversion transitions in 3$\nu_2$ to 3$\nu_2$. 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.
Issue Date:06/21/18
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:APS
Genre:Conference Paper / Presentation
Type:Text
Language:English
URI:http://hdl.handle.net/2142/100483
DOI:10.15278/isms.2018.RI08
Other Identifier(s):RI08
Date Available in IDEALS:2018-08-17
2018-12-12


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