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  • American Institute of Physics (AIP)  (28)
  • Genetics Society of America (GSA)  (1)
  • 2010-2014  (2)
  • 1995-1999  (21)
  • 1985-1989  (6)
  • 1
    Electronic Resource
    Electronic Resource
    Measurements and calculations of CO2 room-temperature high-pressure spectra in the 4.3 μm region (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 90 (1989), S. 2944-2950 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Measurements of the absorption by pure CO2 in the 4.3 μm region are presented. They refer to the temperature of 291 K and densities in the 1–80 amagat range. Calculations based on the addition of Lorentzian contributions strongly overestimate the absorption since they do not account for line overlapping. The energy corrected sudden approximation (ECSA) is used to model line mixing within the impact approximation. The scaling parameters of this model are deduced from line-broadening data. This calculation strongly underestimates the absorption in the spectral region near the edges of the vibrational band, whereas it overestimates the absorption in the far wings of the lines. This is attributed to the impact approximation which does not account for the frequency dependence of the relaxation operator. This dependence is roughly determined from our results; it is in good qualitative agreement with the few corresponding available results.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.455894
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  • 2
    Electronic Resource
    Electronic Resource
    Collisional broadening of CO2 IR lines. II. Calculations (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 88 (1988), S. 2999-3006 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The ability of available theoretical models in describing broadening mechanisms is tested for the CO2–O2, CO2–CO2, and CO2–N2 systems. It is shown that the Anderson–Tsao–Curnutte theory is inaccurate since short-range forces can contribute significantly to broadening. We use the approach of Robert and Bonamy, but the usual expansion of the atom–atom potential to the fourth order around the intermolecular distance appears insufficient at short distances for these particular systems. We propose a better representation of the radial dependence of the atom–atom potential, while keeping the previous analytical expression of the cross section. Satisfactory results are obtained for both the rotational quantum number dependence of room-temperature CO2–O2, CO2–CO2, and CO2–N2 half-widths and the evolution of CO2–N2 broadening with temperature. It is shown that the isotropic part of the potential involved in the trajectory calculation must be coherently deduced from the atom–atom interaction potential.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.453941
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  • 3
    Electronic Resource
    Electronic Resource
    Line broadening, line shifting, and line coupling effects on N2–H2O stimulated Raman spectra (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 5916-5925 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In order to understand the influence of H2O on the stimulated Raman Q-branch spectra of nitrogen in combusting media, an exhaustive theoretical and experimental study has been carried out. Starting from a semiclassical model, particularly convenient at high temperature, the Q-line broadening and shifting coefficients have been calculated over a wide temperature range and for a large number of lines. Stimulated Raman Spectra (SRS) measurements have allowed us to test these calculated line broadening coefficients and thus establish the high accuracy of semiclassical values. The theoretical broadening coefficients have been inverted to deduce state-to-state rotational relaxation rates by using two types of fitting laws. A partial test of the resulting Q-branch profiles has been realized at moderate pressures leading to a discrimination between these two laws. Furthermore, the effect of rotational energy transfers on collisionally narrowed profiles at higher densities has been simulated and compared with the pure N2 case.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.457461
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  • 4
    Electronic Resource
    Electronic Resource
    Collisional broadening of rotation–vibration lines for asymmetric-top molecules. II. H2O diode laser measurements in the 400–900 K range; calculations in the 300–2000 K range (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 86 (1987), S. 144-156 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Numerous comparisons between predictions of the model presented in part I of this paper and experimental H2O infrared linewidths are presented. It is shown that our model, contrary to those used up to now, gives accurate results for H2O room-temperature line broadening by O2 and Ar, and for high rotational quantum-number lines by N2. First accurate experimental widths and intensities of some H2O ν2-band lines in the 400–900 K temperature range are also presented. Detailed analysis of the data demonstrates the great influence of a "resonance overtaking'' mechanism. The latter results from the modifications of both the perturber rovibrational population distribution and kinetic energy with temperature; it strongly enhances the contributions of the collision-induced rotational transitions involving significant energy jumps. This mechanism is well accounted for by our model and quantitatively explains the unusually slow decrease of some linewidths with temperature.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.452605
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  • 5
    Electronic Resource
    Electronic Resource
    Collisional broadening of rotation–vibration lines for asymmetric-top molecules. III. Self-broadening case; application to H2O (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 87 (1987), S. 2781-2789 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A semiclassical theory of asymmetric-top molecule line broadening, developed in part I of this series of papers for linear perturbers, is extended to asymmetric-top perturbers. This model has been successfully applied in part II to the broadening of H2O lines by N2, O2, and Ar. The present applications to the self-broadening of H2O infrared and Raman lines in the 300–900 K range also show the quality of the model. Due to the high electrostatic forces involved in the H2O–H2O interaction, the short-range anisotropic potential has little influence. Nevertheless, the need for a modeling of the trajectory is demonstrated, mainly in the case of high rotational quantum number lines.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.453065
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  • 6
    Electronic Resource
    Electronic Resource
    Simple modeling of line-mixing effects in IR bands. I. Linear molecules: Application to CO2 (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 103 (1995), S. 6467-6478 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A simple approach is developed in order to model the influence of collisions on the shape of infrared absorption by linear molecules. It accounts for line-mixing effects within, as well as between, the different branches (P,Q,R) of the band. It is based on use of the strong collision model, of a classical representation of rotational levels, and of the rigid rotor approximation. The absorption coefficient then has a very simple analytical expression; its wave number and pressure dependencies are computed by using eight parameters which depend on the considered vibrational transition, the temperature, and the nature of the perturber only. These quantities are band-averaged values of the detailed spectroscopic and collisional parameters of the molecular system. Tests of the model are presented in the ν3 and 3ν3 bands of CO2 perturbed by He and Ar at elevated pressures. They demonstrate the accuracy of our approach in accounting for the effects of collisions on the spectral shape in a wide density range; indeed, the superposition of Lorentzian individual lines at low pressure, as well as the collapse (narrowing) of the band at very high pressure are satisfactory predicted. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.470424
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  • 7
    Electronic Resource
    Electronic Resource
    Detailed balance in far-wing line shape theories: Comparisons between different formalisms (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 102 (1995), S. 3009-3010 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Comparisons are made between different methods of introducing the principle of detailed balance in far-wing line shape theories. In particular, it is shown that by symmetrizing the operators in the quasistatic formulation of Ma and Tipping [J. Chem. Phys. 95, 6290 (1991)], one can obtain the same results for the symmetrized matrix elements of the relaxation operator and their frequency detuning that were introduced in an ad hoc way in the resonant quasistatic formulations of Boulet and co-workers [J. Chem. Phys. 91, 2163 (1989); 94, 6406 (1991)]. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.468610
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  • 8
    Electronic Resource
    Electronic Resource
    Line mixing and nonlinear density effects in the ν3 and 3ν3 infrared bands of CO2 perturbed by He up to 1000 bar (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 102 (1995), S. 7306-7316 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We present high density experimental and theoretical results on CO2–He absorption in the ν3 and 3ν3 infrared bands. Measurements have been made at room temperature for pressures up to 1000 bar in both the central and wing regions of the bands. Computations are based on an impact line-mixing approach in which the relaxation operator is modeled with the energy corrected sudden (ECS) approximation. Comparisons between experimental and calculated results demonstrate the accuracy of the ECS approach when applied to band wings and band centers at moderate densities. On the other hand, small but significant discrepancies appear at very high pressures. They are attributed to a number of reasons which include nonlinear density dependence due to the finite volume of the molecules, neglected contributions of vibration to the relaxation matrix, and incorrect modeling of interbranch mixing. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.469042
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  • 9
    Electronic Resource
    Electronic Resource
    Line mixing in the ν1 and 2ν2 isotropic Raman Q-branch of CO2 perturbed by argon and helium (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 111 (1999), S. 9315-9324 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The shapes of the ν1 and 2ν2 isotropic Raman Q-branch of CO2 perturbed by argon and helium have been measured by Stimulated Raman Spectroscopy (SRS) or coherent anti-Stokes Raman Spectroscopy (CARS) techniques. The data have been successfully analyzed with an energy corrected sudden (ECS) approximation model based on basic rates determined independently. Finally comparison of the present data with time resolved double resonance experiments allows us to discuss the physical origin of the two empirical constants which account for the shift and broadening of the branch due to vibrational effects. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.480031
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  • 10
    Electronic Resource
    Electronic Resource
    Self-regulated growth of tilted superlattices by atomic layer epitaxy (1998)
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 72 (1998), S. 3151-3153 
    Details
    ISSN: 1077-3118
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We report on a self-regulated method for the growth of tilted superlattices. It relies on the reconstructed surfaces alternatively stabilized during the atomic layer epitaxy (ALE) of compound semiconductors. The c(2×2)+(2×1) Cd-stabilized and the (2×1) Te-stabilized surfaces alternatively formed during the ALE of CdTe and CdMn(Mg)Te ensure a self-regulation of the growth at 0.5 monolayer deposited per ALE cycle for both CdTe and CdMn(Mg)Te. We are thus able to overcome the problem of precise flux control inherent to tilted superlattices. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.121576
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