Rotational Energy Levels and Line Intensities for2S+1Σ–2S+1Σ Transitions in an Open-Shell Diatomic Molecule Weakly Bonded to a Closed-Shell Partner

1998 ◽  
Vol 191 (1) ◽  
pp. 68-80 ◽  
Author(s):  
Wafaa M. Fawzy
Keyword(s):  
Diatomic Molecule ◽  
Energy Levels ◽  
Closed Shell ◽  
Open Shell ◽  
Rotational Energy ◽  
Line Intensities

Theory of rotational energy levels of open-shell complexes containing the O2 molecule

1997 ◽  
Vol 107 (19) ◽  
pp. 7651-7657 ◽  
Author(s):  
Hai-Bo Qian ◽  
Sarah J. Low ◽  
Dominic Seccombe ◽  
Brian J. Howard
Keyword(s):  
Energy Levels ◽  
Open Shell ◽  
Rotational Energy

H218O: line positions and intensities between 9500 and 11 500 cm−1. The (041), (220), (121), (300), (201), (102), and (003) interacting states

1987 ◽  
Vol 65 (7) ◽  
pp. 777-789 ◽  
Author(s):  
J. -P. Chevillard ◽  
J. -Y. Mandin ◽  
J.-M. Flaud ◽  
C. Camy-Peyret
Keyword(s):  
Fourier Transform ◽  
Water Vapor ◽  
Energy Levels ◽  
Rotational Energy ◽  
Fourier Transform Spectrometer ◽  
Vibrational States ◽  
Line Intensities ◽  
Line Positions ◽  
Average Uncertainty

The spectrum of 18O-enriched water vapor has been recorded between 9500 and 11 500 cm−1, with the aid of a Fourier-transform spectrometer. Its analysis has allowed the determination of 419 accurate rotational energy levels belonging to seven interacting vibrational states of H218O: (041), (220), (121), (300), (201), (102), and (003). Moreover, 622 line intensities belonging to the 4ν2 + ν3, 2ν1 + 2ν2, ν1 + 2ν2 + ν3, 3ν1, 2ν1 + ν3, ν1 + 2ν3, and 3ν3 bands have been measured with an average uncertainty of 6%.

Correlation of Adiabatic States between Perturbed Rotor and Renner-Teller Limits for a Closed-Shell Ion + Open Shell Diatom System

2000 ◽  
Vol 214 (8) ◽  
Author(s):  
E.I. Dashevskaya ◽  
E.E. Nikitin
Keyword(s):  
Energy Levels ◽  
Closed Shell ◽  
Open Shell ◽  
Interaction Potentials ◽  
First Order ◽  
Channel Interaction ◽  
Quadrupole Interactions

The adiabatic channel interaction potentials for a system charge + dipole-open-shell-quadrupole linear rotor are calculated in the perturbed rotor and slightly anharmonic Renner-Teller limits. In both cases, first order charge-dipole and charge-quadrupole interactions are not additive; this leads to novel expressions for the energy levels. The result can be used in the construction of the adiabatic correlation diagrams between free rotor states with account for the

: line positions and intensities between 9500 and 11500 cm−1. The interacting vibrational states (041), (220), (121), (022), (300), (201), (102), and (003)

1989 ◽  
Vol 67 (11) ◽  
pp. 1065-1084 ◽  
Author(s):  
J.-P. Chevillard ◽  
J.-Y. Mandin ◽  
J.-M. Flaud ◽  
C. Camy-Peyret
Keyword(s):  
Fourier Transform ◽  
Water Vapor ◽  
Energy Levels ◽  
Rotational Energy ◽  
Vibrational States ◽  
Line Intensities ◽  
Measured Line ◽  
Fourier Transform Spectra ◽  
Line Positions ◽  
Average Uncertainty

Water vapor Fourier-transform spectra (0.015 cm−1 resolution) were analyzed between 9500 and 11500 cm−1. Accurate values of 557 rotational energy levels, belonging to the interacting vibrational states (041), (220), (121), (022), (300), (201), (102), and (003) of the first decad of [Formula: see text], were determined. Moreover, 718 line intensities were accurately measured (7% uncertainty). To increase the number of experimental intensities (needed for atmospheric applications), a faster method, using the measured line depths, has made it possible to obtain 1695 additional intensities, with an average uncertainty of about 15%.

Calculated energy levels and intensities for the ν1 + ν2 and 3ν2 bands of HDO

1986 ◽  
Vol 64 (6) ◽  
pp. 736-742 ◽  
Author(s):  
A. Perrin ◽  
C. Camy-Peyret ◽  
J. -M. Flaud
Keyword(s):  
Least Squares ◽  
Strong Influence ◽  
Energy Levels ◽  
Rotational Energy ◽  
Transition Moment ◽  
Synthetic Spectrum ◽  
Vibrational States ◽  
Line Intensities ◽  
Least Squares Fit ◽  
Line Positions

A Hamiltonian taking into account both Fermi- and Coriolis-type interactions has been used to reproduce very satisfactorily the available rotational energy levels of the (1 1 0) and (0 3 0) interacting vibrational states of HDO. Then, a least squares fit of the line intensities of the ν1 + ν2 and 3ν2 bands of HDO has provided us with the transformed transition-moment operators of these two bands expanded in a form adapted to the Cs symmetry type of the molecule. The strong influence of the resonances on both line positions and intensities has been exemplified. Finally, the synthetic spectrum of the ν1 + ν2 and 3ν2 hybrid bands of HDO has been computed.

scholarly journals ANALOG COMPUTER FOR STUDYING DIATOMIC MOLECULAR SPECTRA IN TERAHERTZ FREQUENCY

2018 ◽  
Vol 3 (2) ◽  
pp. 117-126
Author(s):  
Usman Malik ◽  
Muhamad Hamdi ◽  
Salomo Salomo
Keyword(s):  
Diatomic Molecule ◽  
Energy Levels ◽  
Rotational Constant ◽  
Analog Computer ◽  
Spectral Lines ◽  
Radiation Absorption ◽  
Thz Radiation ◽  
Molecular Spectra ◽  
Rigid Rotator ◽  
Line Intensities

This paper introduces a harmonic oscillator model for rovibronic terahertz spectrum of a model of a rigid diatomic rotor with some control parameters. The model shows a study of rotationally-resolved terahertz band spectra of the vibrational transition in diatomic molecules. THz radiation absorption is used as a closed-form system known as the analog computer dynamics mode. The optical terahertz region spectrum of the diatomic molecule consists of a series of lines. Their separations are not exactly constant. A diatomic molecule is not truly a rigid rotator, because it simultaneously vibrates with a small amplitude. Due to quantized vibrational and rotational energy levels and the selection rules, allowed transitions result in a highly ordered spectrum consisting of a P branch separated by a central gap. Adjacent spectral lines are separated by a spacing of 2B, and since line intensities depend on Boltzmann factor for thermal population and quantum number J, each branch monotonically increases and decreases. As temperature increases, more lines are observed, and line intensities decrease due to the population being spread over more rotational levels. Interactivity research also involves on effects of the fundamental vibrational frequency, rotational constant B and temperature included line width on the observed spectrum.

H216O: Line positions and intensities between 8000 and 9500 cm−1: the second hexad of interacting vibrational states: {(050), (130), (031), (210), (111), (012)}

1988 ◽  
Vol 66 (11) ◽  
pp. 997-1011 ◽  
Author(s):  
J. -Y. Mandin ◽  
J. -P. Chevillard ◽  
J. -M. Flaud ◽  
C. Camy-Peyret
Keyword(s):  
Fourier Transform ◽  
Water Vapor ◽  
Energy Levels ◽  
Rotational Energy ◽  
Vibrational States ◽  
Line Intensities ◽  
Fourier Transform Spectra ◽  
Set Up ◽  
Line Positions ◽  
Average Uncertainty

Water vapor Fourier-transform spectra (resolution = 0.010 cm−1) have been analyzed between 8000 and 9500 cm−1. Accurate values of 441 rotational energy levels, belonging to the vibrational states (050), (130), (031), (210), (111), and (012) of the second hexad of H216O, have been determined. Moreover, 500 line intensities have been accurately measured (uncertainty = 6%). To increase the number of experimental intensities (useful for atmospheric applications), we have set up a less sophisticated but faster method; this has led to the measurement of 1200 additional intensities, with an average uncertainty of about 10%.

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