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Smith, M. A. H.

Publications and source records attributed to Smith, M. A. H..

At least 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS2013

Air- and Self-Broadened Half Widths, Pressure-Induced Shifts, and Line Mixing in the Nu(sub 2) Band of (12)CH4

Lorentz self- and air-broadened half width and pressure-induced shift coefficients and their dependences on temperature have been measured from laboratory absorption spectra for nearly 130 transitions in the nu(sub 2) band of (12)CH4. In addition line mixing coefficients (using the relaxation matrix element formalism) for both self- and airbroadening were experimentally determined for the first time for a small number of transitions in this band. Accurate line positions and absolute line intensities were also determined. These parameters were obtained by analyzing high-resolution (approx. 0.003 to 0.01 per cm) laboratory spectra of high-purity natural CH4 and air-broadened CH4 recorded at temperatures between 226 and 297 K using the McMath-Pierce Fourier transform spectrometer (FTS) located at the National Solar Observatory on Kitt Peak, Arizona. A multispectrum nonlinear least squares technique was used to fit short (5-15 per cm) spectral intervals in 24-29 spectra simultaneously. Parameters were determined for nu(sub 2) transitions up to J" = 16. The variations of the measured broadening and shift parameters with the rotational quantum number index and tetrahedral symmetry species are examined. The present results are also compared with previous measurements available in the literature.

Smith, M. A. H.↗
NASA NTRS2012

Preliminary Modeling of CH3D From 4000 to 4550 cm (exp-1)

A new study of 12CH3D line positions and intensities was performed for the upper portion of the Enneadecad polyad between 4000 and 4550/cm. For this, FTIR spectra were recorded with D-enriched methane samples (at 80 K with a Bruker 125 IFS at 0.005/cm resolution and at 291 K with the McMath-Pierce FTS at 0.011/cm resolution, respectively). Line positions and intensities were retrieved by least square curve-fitting procedures and analyzed using the effective Hamiltonian and the effective dipole moment expressed in terms of irreducible tensor operators adapted to symmetric top molecules. Initially, only the cold spectrum was used to identify quantum assignments and predict 12CH3D relative intensities in this region. To assign higher quanta up to J equal 14, additional line positions and intensities were obtained from two room temperature spectra. In the final stage, measured intensities from both the cold and the room temperature data were normalized to corresponding values at 296 K and then averaged. Combining the two temperature datasets confirmed the assumed quantum assignments and also demonstrated the relative accuracies to be better than 70.0002/cm for line positions and at least +/-6% for intensities so that approx.1160 features were selected. Including additional assignments from the room temperature spectra alone permitted 1362 line intensities of 11 bands (involving 23 vibrational symmetry components) to be reproduced with an RMS of 9%. Over 4085 selected positions for 12 bands were modeled to 0.008/cm. Nevertheless a number of known assignments could not be modeled to within our experimental precisions. More work is needed to obtain a complete characterization of this complex polyad.

Nikitin, A. V.↗
NASA NTRS2012

Spectral Line Parameters Including Temperature Dependences of Self- and Air-Broadening in the 2 (left arrow) 0 Band of CO at 2.3 micrometers

Temperature dependences of pressure-broadened half-width and pressure-induced shift coefficients along with accurate positions and intensities have been determined for transitions in the 2<--0 band of C-12 O-16 from analyzing high-resolution and high signal-to-noise spectra recorded with two different Fourier transform spectrometers. A total of 28 spectra, 16 self-broadened and 12 air-broadened, recorded using high- purity (greater than or equal to 99.5% C-12-enriched) CO samples and CO diluted with dry air(research grade) at different temperatures and pressures, were analyzed simultaneously to maximize the accuracy of the retrieved parameters. The sample temperatures ranged from 150 to 298K and the total pressures varied between 5 and 700 Torr. A multispectrum nonlinear least squares spectrum fitting technique was used to adjust the rovibrational constants (G, B, D, etc.) and intensity parameters (including Herman-Wallis coefficients), rather than determining individual line positions and intensities. Self-and air-broadened Lorentz half-width coefficients, their temperature dependence exponents, self- and air-pressure-induced shift coefficients, their temperature dependences, self- and air-line mixing coefficients, their temperature dependences and speed dependence have been retrieved from the analysis. Speed-dependent line shapes with line mixing employing off-diagonal relaxation matrix element formalism were needed to minimize the fit residuals. This study presents a precise and complete set of spectral line parameters that consistently reproduce the spectrum of carbon monoxide over terrestrial atmospheric conditions.

Devi, V. Malathy↗
NASA NTRS2010

Cryogenic Absorption Cells Operating Inside a Bruker IFS-125HR: First Results for 13CH4 at 7 Micrometers

New absorption cells designed specifically to achieve stable temperatures down to 66 K inside the sample compartment of an evacuated Bruker IFS-125HR Fourier transform spectrometer (FTS) were developed at Connecticut College and tested at the Jet Propulsion Laboratory (JPL). The temperature stabilized cryogenic cells with path lengths of 24.29 and 20.38 cm were constructed of oxygen free high conductivity (OFHC) copper and fitted with wedged ZnSe windows using vacuum tight indium seals. In operation, the temperature-controlled cooling by a closed-cycle helium refrigerator achieved stability of 0.01 K. The unwanted absorption features arising from cryodeposits on the cell windows at low temperatures were eliminated by building an internal vacuum shroud box around the cell which significantly minimized the growth of cryodeposits. The effects of vibrations from the closed-cycle helium refrigerator on the FTS spectra were characterized. Using this set up, several high-resolution spectra of methane isotopologues broadened with nitrogen were recorded in the 1200-1800 per centimeter spectral region at various sample temperatures between 79.5 and 296 K. Such data are needed to characterize the temperature dependence of spectral line shapes at low temperatures for remote sensing of outer planets and their moons. Initial analysis of a limited number of spectra in the region of the R(2) manifold of the v4 fundamental band of 13CH4 indicated that an empirical power law used for the temperature dependence of the N2-broadened line widths would fail to fit the observed data in the entire temperature range from 80 to 296 K; instead, it follows a temperature-dependence similar to that reported by Mondelain et al. [17,18]. The initial test was very successful proving that a high precision Fourier transform spectrometer with a completely evacuated optical path can be configured for spectroscopic studies at low temperatures relevant to the planetary atmospheres.

Sung, K.↗
NASA NTRS2006

Line Mixing in Water Vapor and Methane

A multispectrum fitting algorithm has been used to identify line mixing and determine mixing parameters for infrared transitions of H2O and CH4 in the 5-9 micrometer region. Line mixing parameters at room temperature were determined for two pairs of transitions in the v2 fundamental band of H2O-16, for self-broadening and for broadening by H2, He, CO2, N2, O2 and air. Line mixing parameters have been determined from air-broadened CH4 spectra, recorded at temperatures between 210 K and 314 K, in selected R-branch manifolds of the v4 band. For both H2O and CH4, the inclusion of line mixing was seen to have a greater effect on the retrieved values of the line shifts than on the retrieved values of other parameters

Smith, M. A. H.↗
NASA NTRS2006

Air-Broadening of H2O as a Function of Temperature: 696 - 2163 cm(exp -1)

The temperature dependence of air-broadened halfwidths are reported for some 500 transitions in the (000)-(000) and (010)-(000) bands of H2(16)O using gas sample temperatures ranging from 241 to 388 K. These observations were obtained from infrared laboratory spectra recorded at 0.006 to 0.011 cm(exp-1) resolution with the McMath-Pierce Fourier transform spectrometer located at Kitt Peak. The experimental values of the temperature dependence exponents, eta, were grouped into eight subsets and fitted to empirical functions in a semi-global procedure. Overall, the values of eta were found to decrease with increasing rotational quantum number J. The number of measurements (over 2200) and transitions (586) involved exceeds by a large margin that of any other comparable reported study.

Toth, R. A.↗
NASA NTRS1998

Spectroscopic Parameters for Ozone and its Isotopes: Current Status, Prospects for Improvement, and the Identification of 16O16O17O and O-16O-16O-17 and O-16O-17O-16 Lines in Infrared Ground-Based and Stratospheric Solar Absorption Spectra

We describe the updates to the spectroscopic parameters of ozone and its isotopes in the 1996 HITRAN compilation. Recent published studies not included in HITRAN are also summarized. Finally, we report the identification of infrared lines of the v(sub 3) bands of O-16O-16O-17 and O-16O-17O-16 in high-resolution solar spectra recorded by stratospheric balloon-borne and ground-based Fourier transform spectrometers.

Rinsland, C. P.↗
NASA NTRS1994

Temperature dependence of Lorentz air-broadening and pressure-shift coefficients of (12)CH4 lines in the 2.3-micron spectral region

High-resolution (0.01/cm) absorption spectra of lean mixtures of CH4 in dry air were recorded with the McMath-Pierce Fourier transform spectrometer (FTS) of the National Solar Observatory on Kitt Peak at various temperatures between 24 and -61 C. The spectra have been analyzed to determine the values at room temperature of pressure-broadened widths and pressure-induced shifts of more than 740 transitions. The temperature dependence of air-broadened widths and pressure-induced shifts was deduced for approx. 370 transitions in the nu(sub 1) + nu(sub 4), nu(sub 3) + nu(sub 4), and nu(sub 2) + nu(sub 3) bands of (12)CH4 located between 4118 and 4615/cm. These results were obtained by analyzing a total of 29 spectra simultaneously using a multi-spectral non-linear least-squares fitting technique. This new technique allowed the determination of correlated spectral line parameters (e.g. intensity and broadening coefficient) better than the procedure of averaging values obtained by fitting the spectra individually. This method also provided a direct determination of the uncertainties in the retrieved parameters due to random errors. For each band analysed in this study the dependence of the various spectral line parameters upon the tetrahedral symmetry species and the rotational quantum numbers of the transitions is also presented.

Devi, V. Malathy↗
NASA NTRS1992

The HITRAN molecular data base - Editions of 1991 and 1992

We describe in this paper the modifications, improvements, and enhancements to the HITRAN molecular absorption database that have occurred in the two editions of 1991 and 1992. The current database includes line parameters for 31 species and their isotopomers that are significant for terrestrial atmospheric studies. This line-by-line portion of HITRAN presently contains about 709,000 transitions between 0 and 23,000/cm and contains three molecules not present in earlier versions: COF2, SF6, and H2S. The HITRAN compilation has substantially more information on chlorofluorocarbons and other molecular species that exhibit dense spectra which are not amenable to line-by-line representation. The user access of the database has been advanced, and new media forms are now available for use on personal computers.

Rothman, Laurence S.↗
NASA NTRS1991

Measurements of self-broadening of infrared absorption lines of ozone

Lorentz self-broadening coefficients have been determined for 355 spectral lines belonging to five different infrared vibration-rotation bands of O3 in the spectral region from 4.8 to 17 microns. Six ozone absorption spectra, recorded at room temperature using a Fourier transform spectrometer, were analyzed. The half-width values were obtained through a nonlinear least-squares spectral fitting procedure. The results are compared with previous measurements, and the vibration of the half-widths with vibrational and rotational quantum numbers is examined.

Smith, M. A. H.↗
NASA NTRS1990

The 3.6-micron region of ozone - Line positions and intensities

Spectra of (O-16)3 at 1800-5400/cm, obtained at resolution 0.01/cm using the Fourier-transform spectrometer of the National Solar Observatory at Kitt Peak, are presented and analyzed; the focus is on the nu2+2nu3, nu1+nu2+nu3, and 2nu1+nu2 bands. The experimental and data-analysis procedures employed are those described by Flaud et al. (1987 and 1989), Malathy Devi et al. (1987), and Rinsland et al. (1988). The vibrational and rotational constants for the (012), (111), and (210) states are listed in a table, and the nu0 band centers for these states are given as 2726.1066/cm, 2785.2391/cm, and 2886.1781/cm, respectively.

Smith, M. A. H.↗
NASA NTRS1989

Fourier-transform spectroscopy of O3 in the 3-micron region

Fourier transform spectra of ozone have been recorded in the 2-5-micron region at a resolution of 0.01/cm. Absorption lines belonging to numerous vibration-rotation transitions have been observed in these spectra, and a detailed analysis of the band system centered at 3.6 microns has been completed.

Smith, M. A. H.↗
NASA NTRS1988

Measurements of air-broadened and nitrogen-broadened half-widths and shifts of ozone lines near 9 microns

Air- and nitrogen-broadened half-widths and line shifts at room temperature for more than 60 individual vibration-rotation transitions in the nu1 fundamental band of (O-16)3 and several transitions in the nu3 band were determined from infrared absorption spectra. These spectra were recorded at 0.005/cm resolution with a Fourier-transform spectrometer. A tunable-diode-laser spectrometer operating in the 1090-1150/cm region was also used to record data on oxygen-, nitrogen-, and air-broadened half-widths for selected individual transitions. The nitrogen- and air-broadened half-widths determined by these two different measurement techniques are consistent to within 4 percent. The results are in good agreement with other published measurements and calculations.

Smith, M. A. H.↗
NASA NTRS1988

The gamma 1 and gamma 3 bands of (16)O3: Line positions and intensities

Using 0.005/cm-resolution Fourier transform spectra of samples of ozone, the gamma 1 and gamma 3 bands of (16)O3 have been reanalyzed to obtain accurate line positions and an extended set of upper state rotational levels (J up to 69, K sub a up to 20). Combined with the available microwave data, these upper state rotational levels were satisfactorily fitted using a Hamiltonian which takes explicitly into account the strong Coriolis interaction affecting the rotational levels of these two interacting states. In addition, 350 relative line intensities were measured from which the rotational expansions of the transition moment operators for the gamma 1 and gamma 3 states have been deduced. Finally, a complete listing of line positions, intensities, and lower state energies of the gamma 1 and gamma 3 bands of (16)O3 has been generated.

Flaud, J.-M.↗
NASA NTRS1988

Line positions and intensities for the gamma 1 + gamma 2 and gamma 2 + gamma 3 bands of (16)O3

Using 0.005 cm-resolution Fourier transform spectra of (16)O3, generated by electric discharge from a greater than 99.98 percent pure sample of (16)O3, an extensive analysis of the gamma 1 + gamma 2 and the gamma 2 + gamma 3 bands in the 5.7 micron region was performed. The rotational energy levels of the upper (110) and (011) vibrational states of (16)O3 were reproduced within their experimental uncertainties using a Hamiltonian which takes explicitly into account the Coriolis-type interaction occurring between the rotational energy levels of both states. Improved vibrational energies and rotational and coupling constants were also derived for the (110) and (011) states. Precise transition moment constants for these two bands were deduced from analysis of 220 measured line intensities. Finally, a complete list of line positions, intensities, and lower state energies for both bands has been generated.

Devi, V. Malathy↗
NASA NTRS1987

The HITRAN database - 1986 edition

A description and summary of the latest edition of the AFGL high-resolution transmission molecular absorption database (HITRAN) parameters are presented. This new database combines the information for the seven principal atmospheric absorbers and twenty-one additional molecular species previously contained on the AFGL atmospheric absorption line parameter compilation and on the trace gas compilation. In addition to updating the parameters on earlier editions of the compilation, new parameters have been added to this edition such as the self-broadened half-width, the temperature dependence of the air-broadened half-width, and the transition probability. The database contains 348,043 entries between 0 and 17,900/cm. A FORTRAN program is now furnished to allow rapid access to the molecular transitions and for the creation of customized output. A separate file of molecular cross sections of 11 heavy molecular species, applicable for qualitative simulation of transmission and emission in the atmosphere, has also been provided.

Rothman, L. S.↗