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/content/aip/journal/jcp/133/17/10.1063/1.3499911
2010-11-04
2016-09-26

Abstract

Complete and reliable knowledge of the ammonia spectrum is needed to enable the analysis and interpretation of astrophysical and planetary observations. Ammonia has been observed in the interstellar medium up to and more highly excited transitions are expected to appear in hot exoplanets and brown dwarfs. As a result, there is considerable interest in observing and assigning the high (rovibrational) spectrum. In this work, numerous spectroscopic techniques were employed to study its high transitions in the ground and states. Measurements were carried out using a frequency multiplied submillimeter spectrometer at Jet Propulsion Laboratory (JPL), a tunable far-infrared spectrometer at University of Toyama, and a high-resolution Bruker IFS 125 Fourier transformspectrometer (FTS) at Synchrotron SOLEIL. Highly excited ammonia was created with a radiofrequency discharge and a dc discharge, which allowed assignments of transitions with up to 35. One hundred and seventy seven ground state and inversion transitions were observed with microwave accuracy in the 0.3–4.7 THz region. Of these, 125 were observed for the first time, including 26 transitions. Over 2000 far-infrared transitions were assigned to the ground state and inversion bands as well as the fundamental band. Of these, 1912 were assigned using the FTS data for the first time, including 222 transitions. The accuracy of these measurements has been estimated to be . A reduced root mean square error of 0.9 was obtained for a global fit of the ground and states, which includes the lines assigned in this work and all previously available microwave, terahertz, far-infrared, and mid-infrared data. The new measurements and predictions reported here will support the analyses of astronomical observations by high-resolution spectroscopy telescopes such as Herschel, SOFIA, and ALMA. The comprehensive experimental rovibrational energy levels reported here will permit further refinement of the potential energy surface to improve ammonia ab initio calculations and facilitate assignment of new high-resolution spectra of hot ammonia.

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