Franck-Condon factors and r-centroids for the D2?-X2? system of the AlO molecule

1978 ◽  
Vol 28 (5) ◽  
pp. 631-632
Author(s):  
A. D. Smirnov ◽  
N. E. Kuz'menko ◽  
Yu. Ya. Kuzyakov
Keyword(s):  
Condon Factors ◽  
Franck Condon ◽  
Alo Molecule

On the Infrared A2Πi - X2∑+ System of Aluminium Monoxide in Relation with the Spectra of M Giant- and Mira-Type Stars

1984 ◽  
Vol 39 (11) ◽  
pp. 1049-1055 ◽  
Author(s):  
A. Bernard ◽  
R. Gravina
Keyword(s):  
Dissociation Constants ◽  
Partition Functions ◽  
Vacuum Line ◽  
Condon Factors ◽  
Internal Partition ◽  
Mira Type Stars ◽  
Franck Condon ◽  
Line Positions ◽  
Global Fitting ◽  
Alo Molecule

From combinations between known ultraviolet transitions of the AlO molecule line positions in the A2Πi - X2∑+ system are tentatively proposed. Indeed, the available data on the C2Πr → X2∑+ and C2Πr → A2Πi transitions permit us to derive about 2400 energy level differences in the A-X system corresponding to the six ν-connected bands 0-0, 0-1, 0-2, 1-0, 1-1 and 1-2. A unique and consistent set of rovibrational constants is derived from a global fitting, allowing to reproduce the observed differences with a total standard deviation of 0.053 cm-1. A catalogue of vacuum line wavenumbers in the six bands is generated and can be made available on request. The synthetic spectra are expected to represent properly the true spectra at least up to J ~ 35.5 and can therefore be of usefulness for the detection of the system in the spectra of M giant- and Mira-type stars.Franck-Condon factors and r-centroïds appropriate to RKR potentials and estimates of intensities in emission are given for bands up to ν′ = 5, v″ = 8.More reliable values for the internal partition functions and dissociation constants of AlO are computed for temperatures between 1000 and 8000 K. All the known and predicted electronic states are taken into account, and present or recent values for the molecular parameters and dissociation energy are used.

Franck–Condon factors and r-centroids of B–X, C–X and C–A band systems of AlO molecule

2010 ◽  
Vol 263 (2) ◽  
pp. 178-182 ◽  
Author(s):  
C.T. Londhe ◽  
K. Sunanda ◽  
M.D. Saksena ◽  
S.H. Behere
Keyword(s):  
Condon Factors ◽  
Franck Condon ◽  
Alo Molecule

scholarly journals Franck – Condon Factors And r- Centroids of D – A and D – B band systems of AlO molecule

2020 ◽  
Vol 66 (5 Sept-Oct) ◽  
pp. 568
Author(s):  
C. T. Londhe ◽  
Hewa Y Abdullah
Keyword(s):  
Fourier Transform ◽  
Excited State ◽  
Aluminium Oxide ◽  
Fourier Transform Spectrometer ◽  
Molecular Constants ◽  
Condon Factors ◽  
Franck Condon ◽  
Alo Molecule

Franck–Condon factors and r-centroids were computed for the D2S+ - A2Πi and D2S+ - B2S+ band systems of the aluminium oxide (AlO) molecule for the v' = 10; v" = 10 matrix using the method developed by Jarmain and Nicholls. The latest Fourier-transform Spectrometer molecular constants of ground and excited state are used. The intensities of these bands are discussed and the Franck–Condon factors and r-centroids obey the established relationships

On the use of distorted Franck—Condon factors in the interpretation of neutralization—reionization experiments

1990 ◽  
Vol 100 ◽  
pp. 465-475 ◽  
Author(s):  
J.C. Lorquet ◽  
B. Leyh-Nihant ◽  
F.W. McLafferty
Keyword(s):  
Condon Factors ◽  
Franck Condon

Identification of the photoelectron spectra of HFCS via computing Franck–Condon factors

2021 ◽  
pp. 113393
Author(s):  
Jia-Lin Chang ◽  
Wen-Hsin Kuo ◽  
Yun-Jhu Huang ◽  
Mu-Fong Chang ◽  
Jui-Yang Huang ◽  
...  
Keyword(s):  
Photoelectron Spectra ◽  
Condon Factors ◽  
Franck Condon

V3: Structure and vibrations from density functional theory, Franck–Condon factors, and the pulsed-field ionization zero-electron-kinetic energy spectrum

2001 ◽  
Vol 114 (9) ◽  
pp. 4036-4044 ◽  
Author(s):  
Patrizia Calaminici ◽  
Andreas M. Köster ◽  
Tucker Carrington ◽  
Pierre–Nicholas Roy ◽  
Nino Russo ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Energy Spectrum ◽  
Kinetic Energy ◽  
Density Functional ◽  
Field Ionization ◽  
Functional Theory ◽  
Kinetic Energy Spectrum ◽  
Pulsed Field Ionization ◽  
Condon Factors ◽  
Franck Condon

Franck-Condon factors and r centroids for the B-X and C-X systems of the MgF molecule

1968 ◽  
Vol 1 (5) ◽  
pp. 993-996 ◽  
Author(s):  
R C Maheshwari ◽  
I D Singh ◽  
M M Shukla
Keyword(s):  
Condon Factors ◽  
Franck Condon

THEORETICAL TRANSITION PROBABILITIES FOR THE $\tilde{A}^{2}A_{1} -\tilde{X}^{2}B_{1}$ SYSTEM OF H2O+ AND D2O+ AND RELATED FRANCK–CONDON FACTORS BASED ON GLOBAL POTENTIAL ENERGY SURFACES

2005 ◽  
Vol 04 (01) ◽  
pp. 225-245 ◽  
Author(s):  
IKUO TOKUE ◽  
KATSUYOSHI YAMASAKI ◽  
SATOSHI MINAMINO ◽  
SHINKOH NANBU
Keyword(s):  
Potential Energy ◽  
Photoelectron Spectroscopy ◽  
Potential Energy Surfaces ◽  
Least Squares Method ◽  
Transition Probabilities ◽  
Three Dimensional ◽  
Equilibrium Geometry ◽  
Condon Factors ◽  
Energy Surfaces ◽  
Franck Condon

To elucidate the ionization dynamics, in particular the vibrational distribution, of H 2 O +(Ã) produced by photoionization and the Penning ionization of H 2 O and D 2 O with He *(2 3S) atoms, Franck–Condon factors (FCFs) were given for the [Formula: see text] ionization, and the transition probabilities were presented for the [Formula: see text] emission. The FCFs were obtained by quantum vibrational calculations using the three-dimensional potential energy surfaces (PESs) of [Formula: see text] and [Formula: see text] electronic states. The global PESs were determined by the multi-reference configuration interaction calculations with the Davidson correction and the interpolant moving least squares method combined with the Shepard interpolation. The obtained FCFs exhibit that the [Formula: see text] state primarily populates the vibrational ground state, as its equilibrium geometry is almost equal to that of [Formula: see text], while the bending mode (ν2) is strongly enhanced for the H 2 O +(Ã) state; the maximums in the population of H 2 O + and D 2 O + are approximately v2 = 11–12 and 15–17, respectively. These results are consistent with the distributions observed by photoelectron spectroscopy. Transition probabilities for the [Formula: see text] system of H 2 O + and D 2 O + show that the bending progressions consist primarily of the [Formula: see text] emission, with combination bands from the (1, v′2 = 4–8, 0) level being next most important.

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