scholarly journals Pressure effects on water vapour lines: beyond the Voigt profile

2012 ◽  
Vol 370 (1968) ◽  
pp. 2495-2508 ◽  
Author(s):  
N. H. Ngo ◽  
H. Tran ◽  
R. R. Gamache ◽  
J. M. Hartmann
Keyword(s):  
Water Vapour ◽  
Line Shape ◽  
Pressure Effects ◽  
Shape Model ◽  
Line Shapes ◽  
Voigt Profile ◽  
Voigt Model ◽  
Velocity Changes ◽  
Dynamics Simulations ◽  
Induced Velocity

A short overview of recent results on the effects of pressure (collisions) regarding the shape of isolated infrared lines of water vapour is presented. The first part of this study considers the basic collisional quantities, which are the pressure-broadening and -shifting coefficients, central parameters of the Lorentzian (and Voigt) profile and thus of any sophisticated line-shape model. Through comparisons of measured values with semi-classical calculations, the influences of the molecular states (both rotational and vibrational) involved and of the temperature are analysed. This shows the relatively unusual behaviour of H 2 O broadening, with evidence of a significant vibrational dependence and the fact that the broadening coefficient (in cm −1 atm −1 ) of some lines increases with temperature. In the second part of this study, line shapes beyond the Voigt model are considered, thus now taking ‘velocity effects’ into account. These include both the influence of collisionally induced velocity changes that lead to the so-called Dicke narrowing and the influence of the dependence of collisional parameters on the speed of the radiating molecule. Experimental evidence of deviations from the Voigt shape is presented and analysed. The interest of classical molecular dynamics simulations, to model velocity changes, together with semi-classical calculations of the speed-dependent collisional parameters for line-shape predictions from ‘first principles’, are discussed.

scholarly journals Recommended isolated-line profile for representing high-resolution spectroscopic transitions (IUPAC Technical Report)

2014 ◽  
Vol 86 (12) ◽  
pp. 1931-1943 ◽  
Author(s):  
Jonathan Tennyson ◽  
Peter F. Bernath ◽  
Alain Campargue ◽  
Attila G. Császár ◽  
Ludovic Daumont ◽  
...  
Keyword(s):  
High Resolution ◽  
Line Profile ◽  
Pressure Effects ◽  
Task Group ◽  
High Resolution Spectroscopy ◽  
Line Shapes ◽  
Neutral Gas ◽  
Voigt Profile ◽  
Simplifying Assumptions ◽  
On Line

Abstract The report of an IUPAC Task Group, formed in 2011 on “Intensities and line shapes in high-resolution spectra of water isotopologues from experiment and theory” (Project No. 2011-022-2-100), on line profiles of isolated high-resolution rotational-vibrational transitions perturbed by neutral gas-phase molecules is presented. The well-documented inadequacies of the Voigt profile (VP), used almost universally by databases and radiative-transfer codes, to represent pressure effects and Doppler broadening in isolated vibrational-rotational and pure rotational transitions of the water molecule have resulted in the development of a variety of alternative line-profile models. These models capture more of the physics of the influence of pressure on line shapes but, in general, at the price of greater complexity. The Task Group recommends that the partially Correlated quadratic-Speed-Dependent Hard-Collision profile (pCqSD-HCP) should be adopted as the appropriate model for high-resolution spectroscopy. For simplicity this should be called the Hartmann–Tran profile (HTP). The HTP is sophisticated enough to capture the various collisional contributions to the isolated line shape, can be computed in a straightforward and rapid manner, and reduces to simpler profiles, including the Voigt profile, under certain simplifying assumptions.

scholarly journals Ground-based FTIR water vapour profile analyses

2009 ◽  
Vol 2 (2) ◽  
pp. 609-619 ◽  
Author(s):  
M. Schneider ◽  
F. Hase
Keyword(s):  
Remote Sensing ◽  
Fourier Transform ◽  
Radiative Transfer ◽  
Water Vapour ◽  
Line Shape ◽  
Trace Gases ◽  
Vertical Gradient ◽  
Logarithmic Scale ◽  
Shape Model ◽  
Transfer Modelling

Abstract. Due to a large vertical gradient and strong variability of water vapour, algorithms that are effectively applied for ground-based remote sensing of many different atmospheric trace gases can be insufficient for the retrieval of tropospheric water vapour profiles. We review the most important features of the retrieval and of the radiative transfer modelling required for accurate monitoring of tropospheric water vapour profiles by ground-based FTIR (Fourier Transform Infrared) experiments. These are: a fit of a variety of different water vapour lines with different strength, a logarithmic scale inversion, a speed dependent Voigt line shape model, and a joint temperature profile retrieval. Furthermore, the introduction of an interspecies constraint allows for a monitoring of HDO/H2O ratio profiles.

H NMR Evidence for a Change in The Local Hydrogen Environment of Sites Associated with the Staebler-Wronski Effect in a-Si:H

2002 ◽  
Vol 715 ◽  
Author(s):  
T. Su ◽  
Robin Plachy ◽  
P. C. Taylor ◽  
S. Stone ◽  
G. Ganguly ◽  
...  
Keyword(s):  
Line Shape ◽  
Defect Density ◽  
Hydrogen Atoms ◽  
Hydrogen Environment ◽  
H Nmr ◽  
Line Shapes ◽  
Different Temperatures ◽  
Staebler Wronski Effect

AbstractWe study the H NMR line shapes of a sample of a-Si:H under several conditions: 1) as grown, 2) light-soaked for 600 hours, and 3) light-soaked followed by annealing at different temperatures. At T = 7 K, the NMR line shape of the sample after light soaking exhibits an additional doublet compared to that of the sample as-grown. This doublet is an indication of a closely separated hydrogen pair. The distance between the two hydrogen atoms is estimated to be about (2.3 ± 0.2) Å. The concentration of these hydrogen sites is estimated to be between 1017 and 1018 cm-3 consistent with ESR measurements of the defect density after light soaking. This doublet disappears after the sample is annealed at 200°C for 4 hours.

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