scholarly journals Franck-Condon Factors and r-Centroids for Several Systems of CoF Molecule

2015 ◽  
Vol 58 ◽  
pp. 90-101 ◽  
Author(s):  
Q.M. Nadhem ◽  
Behere Supriya ◽  
S.H. Behere
Keyword(s):  
Molecular Constants ◽  
Band Origin ◽  
Condon Factors ◽  
The Relationship ◽  
Franck Condon

Franck–Condon factors factors and r-centroids have been calculated for the G3Φ4-X3Φ4 , K3Φ4-X3Φ4, L3Φ4-X3Φ4, [20.6]3Γ5-X3Φ4 and [34.7]3Γ5-X3Φ4 bands of Cobalt monofluoride 59Co19F from the best available molecular constants using Morse and Rydberg–Klein–Rees (RKR) methods. The reliability of the obtained values was verified by comparing the results of five different programs. Based on the calculated Franck–Condon factors values, the appearance of the bands in these systems are discussed and the relationship between the r-centroids and the band-origin wavenumbers and wavelengths are also determined along with accuracy factors.

scholarly journals Franck-Condon factors and observed band strength distribution in the vibrational structure of the Ag2 D-X band system

2010 ◽  
Vol 75 (5) ◽  
pp. 659-667 ◽  
Author(s):  
Ankica Antic-Jovanovic ◽  
Milos Momcilovic ◽  
Vojislav Bojovic ◽  
Murtadha Khakoo ◽  
Russ Laher
Keyword(s):  
Band System ◽  
Strength Distribution ◽  
Vibrational Structure ◽  
Isotopic Effect ◽  
Molecular Constants ◽  
Band Origin ◽  
Isotopic Shifts ◽  
X Band ◽  
Condon Factors ◽  
Franck Condon

Potential curves for the X1?g+ and D1?u+ states of three diatomic silver isotopomers, 107Ag2, 107Ag109Ag and 109Ag2, were determined from the best available molecular constants by the Rydberg-Klein-Rees method. From these potentials, Franck-Condon factors and band-origin wave numbers were computed, and the reliability of the obtained values was verified by comparison with the observed band strength distribution and the measured band origin positions in a previously recorded D-X spectrum. The ratios of the Franck-Condon factors to those of corresponding isotopic bands were found to be very close to unity, revealing only a very small isotopic effect on the Franck Condon factors of Ag2 D-X bands. The isotopic shifts of the calculated band origins agree well with previously measured displacements of band heads.

Further Analyses of Infrared 1Π → 1Σ Bands of 89Y127I: New Spectroscopic Data on States up to υ"=7 and υ'=4

1984 ◽  
Vol 39 (1) ◽  
pp. 27-31 ◽  
Author(s):  
A. Bernard ◽  
R. Gravina
Keyword(s):  
Spectroscopic Data ◽  
Molecular Constants ◽  
Dense Structure ◽  
Normal Distributions ◽  
Synthetic Spectra ◽  
Condon Factors ◽  
Emission System ◽  
Franck Condon ◽  
Potential Curves ◽  
Rms Errors

This paper deals with the extension of a recent study of the infrared 1Π → 1Σ emission system of the YI molecule (1). Thanks to the extreme regularity of the structure, rotational analyses can be completed for the previous 3-1, 2-0, 1-0, 0-0 and 0-1 bands and extended to 11 more bands detected step by step from their synthetic spectra (owing to the extremely dense structure). A unique and consistent set of accurate rotational constants is derived for both states, up to the levels υ" = 7 and υ' = 4, from the reduction of 5772 line wavenumbers in the bands 3-1, 2-0, 1-0, 0-0. 0-1. 0-2, 1-3, 2-4, 2-5, 3-6 and 4-7, the υ-connected bands being fitted simultaneously. The 57 estimated constants allow to reproduce the observed spectra with typical weighted rms errors between 4 and 5 mK. When using these constants to generate the bands 2-1, 1-2, 3-3, 1-4 and 3-5, ~1300 lines can be picked out whose experimental positions relatively to the predicted ones correspond to quite equivalent rms errors with nearly normal distributions of the residuals, therefore ensuring the reliability of the analysis. Molecular constants at equilibrium are derived; improvments are significant, particularly for vibration. Franck-Condon factors and r-centroïds appropriate to RKR potential curves are given. The observed bands correspond to those which are predicted to be the strongest ones in each υ'-progression.

Low-lying electronic states of CuBr

2001 ◽  
Vol 79 (2-3) ◽  
pp. 299-343 ◽  
Author(s):  
T Hirao ◽  
P F Bernath
Keyword(s):  
Fourier Transform ◽  
Electronic States ◽  
Buffer Gas ◽  
Fourier Transform Spectrometer ◽  
Molecular Constants ◽  
Expansion Formula ◽  
Condon Factors ◽  
Mass Dependent ◽  
Franck Condon ◽  
Potential Curves

The A1Π – X1Σ+ and B1Σ+ – X1Σ+ transitions of copper monobromide, CuBr, were recorded with a Fourier transform spectrometer. The emission was generated by using a hollow cathode discharge of Ar buffer gas and a mixture of Cu and CuBr powders. The mass-dependent Dunham expansion formula was used to obtain improved molecular constants for the ground, A and B states. These molecular constants provided RKR potential curves and Franck–Condon factors for the A–X and B–X transitions.PACS No. 35.80 transitions. PACS No. 35.80

Investigations of metal ion – rare gas pairs by optical spectroscopy: High resolution analysis of the A2Πr–X2Σ+ system of BeAr+

1976 ◽  
Vol 54 (15) ◽  
pp. 1535-1544 ◽  
Author(s):  
K. V. Subbaram ◽  
J. A. Coxon ◽  
W. E. Jones
Keyword(s):  
High Resolution ◽  
Metal Ion ◽  
Valence Electron ◽  
Rare Gas ◽  
Electron Systems ◽  
Molecular Constants ◽  
High Resolution Analysis ◽  
Condon Factors ◽  
Resolution Analysis ◽  
Franck Condon

Rotational analyses have been performed for the 1–0, 0–0, 0–1, 0–2, 0–3, and 0–4 bands of the A2Πr–X2Σ+ system of BeAr+ near 4000 Å. Molecular constants have been obtained by direct least squares fits of the line frequencies to model Hamiltonians. The Λ-type doubling in the A state is compared with that found for other nine valence-electron systems. RKR curves are calculated for both states, and provide an estimate of Dc″ = 4100 ± 200 cm−1 for the X2Σ+ state. Franck–Condon factors and r-centroids for the transition are also reported.

Analysis of singlet and triplet systems of yttrium hydride, YH and YD

1977 ◽  
Vol 55 (15) ◽  
pp. 1322-1334 ◽  
Author(s):  
A. Bernard ◽  
R. Bacis
Keyword(s):  
Hollow Cathode ◽  
Vibrational Analysis ◽  
Rotational Analysis ◽  
Molecular Constants ◽  
Negative Glow ◽  
Electronic Band ◽  
Condon Factors ◽  
Composite Wall ◽  
Yttrium Hydride ◽  
Franck Condon

Six new electronic band systems, ascribed to YH, have been observed in emission in the negative glow of a 'composite wall' hollow cathode lamp. Five of the similar systems of YD have also been observed. They appear between 4500 and 9000 Å. The vibrational analysis and observation of the related isotope effect permitted us to distinguish and partially classify these systems. Rotational analysis made it possible to identify the corresponding transitions as 3Φ → 3Δ, (1Π, 1Σ) → 1Σ, and (1Σ, 1Δ) → 1Π.Rotational constants of the ν = 0 states are given in this paper. Moreover, equilibrium molecular constants derived from the rotational study of a number of bands, namely (0, 0) and (1, 1) of YH and (1, 0), (2, 1), (3, 2), (0, 0), (1, 1), (2, 2), and (0, 1) of YD, are given for the states of the 1Σ → 1Σ transition. Franck–Condon factors of this system are estimated.

Improved Spectroscopic Data Synthesis for I2(B3ΠOu+) and Predictions of J Dependence for B(3ΠOu+)–X(1Σg+) Transition Intensities

1973 ◽  
Vol 51 (15) ◽  
pp. 1664-1677 ◽  
Author(s):  
J. David Brown ◽  
George Burns ◽  
Robert J. Le Roy
Keyword(s):  
Spectroscopic Data ◽  
Population Distribution ◽  
Intermolecular Potential ◽  
Molecular Constants ◽  
Wide Range ◽  
Vibrational Levels ◽  
Condon Factors ◽  
Vibrational Bands ◽  
Franck Condon

Some new techniques are introduced in a reanalysis of the spectroscopic data for I2(B3ΠOu+)to obtain a more complete and internally consistent set of molecular constants, and an RKR potential curve. In particular, attention is focussed on the determination of reliable high-order rotational constants (Dν, Hν, etc.) for highly excited vibrational levels. The ensuing intermolecular potential for this state is then used together with a known ground-state curve in a study of the J dependence of Franck-Condon factors for discrete B(3ΠOu+)–X(1Σg+) transitions over a wide range of ν and J. It is concluded that at the temperatures 1000–2000 °K routinely achieved in shock-tube experiments, the intensity of most vibrational bands will vary drastically as J ranges across the half-width of the thermal rotational population distribution.

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