Vibration-rotation pattern in acetylene. II. Introduction of Coriolis coupling in the global model and analysis of emission spectra of hot acetylene around 3 μm

2009 ◽  
Vol 131 (11) ◽  
pp. 114301 ◽  
Author(s):  
Badr Amyay ◽  
Séverine Robert ◽  
Michel Herman ◽  
André Fayt ◽  
Balakrishna Raghavendra ◽  
...  
Keyword(s):  
Emission Spectra ◽  
Global Model ◽  
Coriolis Coupling ◽  
Rotation Pattern ◽  
Vibration Rotation

Vibration-rotation bands of trideuteromethyl iodide

1965 ◽  
Vol 288 (1412) ◽  
pp. 39-49 ◽  
Keyword(s):  
Fine Structure ◽  
Coupling Constants ◽  
Coriolis Coupling ◽  
Molecular Constants ◽  
Rotational Constants ◽  
Vibrational Levels ◽  
Theoretical Predictions ◽  
Vibration Rotation ◽  
Combination Bands

The rotational fine structure of six parallel and nine perpendicular vibration bands of tri­deuteromethyl iodide has been analysed, and molecular constants have been derived. These include the band origins, the rotational constants in different vibrational levels, the α A i and α B i values, and the Coriolis coupling constants ς i for the fundamental degenerate vibrations. The ς values for overtone and combination bands have been compared with values calculated from the ς i values of the fundamentals, and agree closely with previous theoretical predictions.

Coriolis coupling effects on energy transfer: classical-trajectories analysis for CO2 + Ar collisions

2007 ◽  
Vol 85 (11) ◽  
pp. 983-988 ◽  
Author(s):  
E Borges ◽  
J P Braga
Keyword(s):  
Energy Transfer ◽  
Initial Conditions ◽  
Normal Modes ◽  
Coriolis Coupling ◽  
Coupling Energy ◽  
Rotational States ◽  
Quantum Numbers ◽  
Classical Trajectories ◽  
Vibration Rotation ◽  
Made In

Energy transfer on CO2 + Ar collisions is studied by performing classical-trajectories simulations in a non-rigid potential-energy surface. Partition of molecular kinetic energy into vibration, rotation, and Coriolis coupling is made in a Cartesian coordinates system, coupled to vibrational normal modes. Initial atomic translational energies are selected from a range of 0.004–0.4 au, and initial molecular rotational states are fixed at rotational quantum numbers j, equal to 1, 20, 40, and 60. Effects of these different initial conditions are investigated, and the Coriolis influence on the energy transferred is analyzed.Key words: Coriolis coupling, energy, classical trajectories.

Vibration-rotation emission spectra and combined isotopomer analyses for the coinage metal hydrides: CuH & CuD, AgH & AgD, and AuH & AuD

1999 ◽  
Vol 110 (24) ◽  
pp. 11756-11767 ◽  
Author(s):  
Jenning Y. Seto ◽  
Zulfikar Morbi ◽  
Frank Charron ◽  
Sang K. Lee ◽  
Peter F. Bernath ◽  
...  
Keyword(s):  
Metal Hydrides ◽  
Emission Spectra ◽  
Coinage Metal ◽  
Vibration Rotation

Vibration−Rotation Emission Spectra of Gaseous ZnH2and ZnD2

2004 ◽  
Vol 126 (44) ◽  
pp. 14356-14357 ◽  
Author(s):  
Alireza Shayesteh ◽  
Dominique R. T. Appadoo ◽  
Iouli E. Gordon ◽  
Peter F. Bernath
Keyword(s):  
Emission Spectra ◽  
Vibration Rotation

Vibration-rotation bands of methyl isocyanide and its d 3 -derivative

1972 ◽  
Vol 330 (1580) ◽  
pp. 15-28 ◽  
Keyword(s):  
Detailed Examination ◽  
Rotational Structure ◽  
Coriolis Coupling ◽  
Coupling Coefficients ◽  
Molecular Constants ◽  
Absorption Bands ◽  
Vibrational Absorption ◽  
Methyl Isocyanide ◽  
Vibration Rotation

Vibrational absorption bands of methyl isocyanide and its d 3 -derivative have been measured with higher resolution than previously, and the rotational structure of some bands has been analysed. The band origins have been determined for some parallel bands and molecular constants have been derived. A more detailed examination of the fundamental bands of the degenerate vibrations of both molecules has led to a determination of A" and of the Coriolis coupling coefficients for v 5 , v 6 , v 7 and v 8 . Several perturbations arising from Fermi or Coriolis interactions have been explained.

The vibration-rotation emission spectra of gaseous CdH2 and CdD2

2005 ◽  
Vol 122 (19) ◽  
pp. 194301 ◽  
Author(s):  
Shanshan Yu ◽  
Alireza Shayesteh ◽  
Peter F. Bernath
Keyword(s):  
Emission Spectra ◽  
Vibration Rotation

Infrared chemiluminescence from carbon monoxide in the reactions of atomic oxygen with acetylene and carbon suboxide

1970 ◽  
Vol 317 (1531) ◽  
pp. 575-586 ◽  
Keyword(s):  
Atomic Hydrogen ◽  
Atomic Oxygen ◽  
Flow Reactor ◽  
Reaction System ◽  
Emission Spectra ◽  
Flow Rates ◽  
Elementary Reactions ◽  
Vibration Rotation ◽  
Low Pressures ◽  
Co Emission

Vibration-rotation transitions of CO(X 1 Ʃ + ) have been observed as infrared chemiluminescence from the reactions of O( 3 P) with C 2 H 2 , C 3 O 2 and HC 3 N. The emission spectra, observed from a spherical flow reactor at low pressures (0.1 to 2 Torr) were characteristic for each reaction system, and in some cases depended on the relative flow rates of the reactants and were affected by the addition of atomic hydrogen. These changes in spectral distribution can yield valuable information about the mechanisms of the elementary reactions involved. Thus in the O + C 2 H 2 reaction, the distribution extending to v ' = 14 which predominates at low fuel flows is associated with the reactions O + C 2 H 2 = CO + CH 2 + 48 kcal/mol (200 kJ/mol), O + CH 2 =CO + 2H + 73 kcal/mol (306 kJ/mol). An additional distribution extending up to v ' = 33 (163 kcal/mol, 680 kJ/mol) is observed at high acetylene flows and in the presence of added hydrogen. This is attributed to the reaction O + CH = CO + H + 176 kcal/mol (736 kJ/mol). Similar emission is also observed from the O + C 3 O 2 reaction when atomic hydrogen is added; in its absence, the dominant CO emission comes from levels v ≼ 8 and is attributed to the reaction O + C 3 O 2 = 3CO+115 kcal/mol (480 kJ/mol).

Vibration-rotation bands and molecular constants of methyl iodide

1965 ◽  
Vol 288 (1412) ◽  
pp. 50-59 ◽  
Keyword(s):  
Methyl Iodide ◽  
Coupling Constants ◽  
Rotational Line ◽  
Coriolis Coupling ◽  
Molecular Constants ◽  
Isotopic Species ◽  
Vibration Rotation ◽  
Product Rules ◽  
Degenerate Modes ◽  
Combination Bands

The rotational line structure of seven parallel and seven perpendicular vibration bands of methyl iodide has been measured with high resolution, and the molecular rotational constants have been determined. Values of a x and a x and the Coriolis coupling constants for the fundamental degenerate modes have been determined. The values for overtone and combination bands usually agree closely with those predicted from the values found for the fundamentals. There appear to be inexplicable perturbations in some of the perpendicular bands. The ratio of A values, an d frequency product rules, for the isotopic species CH 3 I and CD 3 I are in accordance with theory.

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