High-resolution emission spectra of MgH and MgD in the 600 to 850 nm wavelength region

1978 ◽  
Vol 56 (6) ◽  
pp. 767-779 ◽  
Author(s):  
Walter J. Balfour ◽  
Bo Lindgren
Keyword(s):  
High Resolution ◽  
Excellent Agreement ◽  
Dissociation Energy ◽  
Ground State ◽  
Wavelength Region ◽  
Emission Spectra ◽  
Condon Factors ◽  
Reported Data ◽  
Dc Arc ◽  
Franck Condon

The emission spectra from a magnesium dc arc in hydrogen or deuterium have been photographed at high resolution from 600 to 850 nm. Thirteen new bands of MgH and 18 of MgD in the B′2Σ+–X2Σ+ system have been identified and complete rotational analyses have been performed. Term values have been obtained for all bound ground state rotational levels of MgH for ν = 4–9 and MgD for ν = 6–13 and limiting curves of dissociation have been used to determine the dissociation energy of MgH. The experimental value, D00″(MgH) = 1.27 ± 0.03 eV is in excellent agreement with theory. The ground state RKR potential curve and Franck–Condon factors for the B′–X system are reported. Data on the isotopic molecules 25MgH, 26MgH, 25MgD, and 26MgD have also been obtained.

scholarly journals Calculating Franck Condon Factor and Potential Curves for X2Σ+-A2Π System of BeBr Molecule

2015 ◽  
Vol 52 ◽  
pp. 5-10
Author(s):  
Adil Nameh Ayaash
Keyword(s):  
Excited State ◽  
Potential Function ◽  
Dissociation Energy ◽  
Ground State ◽  
Spectroscopic Properties ◽  
Spectroscopic Constants ◽  
Condon Factor ◽  
Condon Factors ◽  
Franck Condon ◽  
Potential Curves

The present work concerns by study of spectroscopic properties for Beryllium monobromide BeBr. Franck Condon Factor of BeBr molecule had been calculated theoretically for ground state X2Σ+ and excited state A2Π by special integrals by depending on spectroscopic constants for this molecule. The Dissociation energy and potential curves of this molecule is studied in this work by using Hua potential function, the results of potential curves and Franck Condon Factors converge with other researchers results.

Vibrational Transition Probabilities and Dissociation Energy of the PF Molecule

1993 ◽  
Vol 58 (4) ◽  
pp. 748-753 ◽  
Author(s):  
Narayanan Rajamanickam ◽  
Manuel Fernandez Gomez ◽  
Juan Jesus Lopez Gonzalez
Keyword(s):  
Dissociation Energy ◽  
Ground State ◽  
Potential Energy Curve ◽  
Transition Probabilities ◽  
Energy Curve ◽  
Vibrational Transition ◽  
Condon Factors ◽  
Franck Condon ◽  
Suitable Potential ◽  
Electronic Ground

The Franck-Condon factors (vibrational transition probabilities) and r-centroids have been evaluated by a more reliable numerical interogation procedure for the bands of b1Σ+ - X3Σ- system of the PF molecule, using a suitable potential. The dissociation energy, De = 318 kJ mol-1 for the electronic ground state of this molecule has been estimated by fitting the electronegativity function to the experimental potential energy curve.

Abinitio SCF and MRD-CI description of the A2A′ – X2A″ transition of the as yet unknown HNCl molecule

1985 ◽  
Vol 63 (11) ◽  
pp. 3264-3268 ◽  
Author(s):  
Britta L. Schürmann ◽  
Robert J. Buenker
Keyword(s):  
Ground State ◽  
Mode Coupling ◽  
Vibrational Analysis ◽  
Electronic States ◽  
Oscillator Strengths ◽  
Fundamental Frequencies ◽  
Condon Factors ◽  
Franck Condon ◽  
Linear Geometry ◽  
Made In

Abinitio potential curves of the X2A″ ground state and the first excited A2A′ state (2Π in linear geometry) of HNCl are calculated employing multi-reference single- and double-excitation configuration interaction in order to aid in the search for this system experimentally. A vibrational analysis (frequencies and Franck–Condon factors) of the A2A′ – X2A″ transition is undertaken by neglecting coupling between the various modes. Diagonal and off-diagonal force constants together with the fundamental frequencies have been calculated by including mode coupling for both electronic states, and oscillator strengths and radiative lifetimes are also obtained. Comparison with theoretical and experimental results for other isovalent systems is also made in order to establish trends in this group of HAB systems.

Absorption spectrum of the Mg2 molecule

1970 ◽  
Vol 48 (7) ◽  
pp. 901-914 ◽  
Author(s):  
W. J. Balfour ◽  
A. E. Douglas
Keyword(s):  
Absorption Spectrum ◽  
Excited State ◽  
High Resolution ◽  
Potential Energy ◽  
Dissociation Energy ◽  
Ground State ◽  
Potential Energy Curve ◽  
Energy Curve ◽  
Vibrational Constants

The absorption spectrum of the Mg2 molecule, which occurs in a furnace containing Mg vapor, has been photographed with a high resolution spectrograph. The rotational structures of the bands have been analyzed and the rotational and vibrational constants of the two states determined. The bands are found to arise from a 1Σ–1Σ transition between a very lightly bonded ground state and a more stable excited state. The R.K.R. potential energy curve of the ground state, which has a dissociation energy of 399 cm−1, has been determined. The more important constants of the ground state are ωe = 51.12 cm−1, ωexe = 1.64 cm−1, re = 3.890 Å and those of the upper state are ωe = 190.61 cm−1, ωexe = 1.14 cm−1, re = 3.082 Å.

Vibronic analysis of the spectrum of Br2CS

1985 ◽  
Vol 63 (7) ◽  
pp. 1418-1423 ◽  
Author(s):  
B. Simard ◽  
R. P. Steer
Keyword(s):  
Dissociation Energy ◽  
Ground State ◽  
Emission Spectra ◽  
Vibrational Frequencies ◽  
Plane Angle ◽  
Fluorescence Excitation ◽  
Out Of Plane ◽  
Vibronic Analysis

[Formula: see text] fluorescence excitation and emission spectra of Br2CS have been recorded. A vibronic analysis shows that the molecule is non-planar in the [Formula: see text] state with an equilibrium out-of-plane angle of 13° and a barrier to inversion of l64 cm−1. Upper state vibrational frequencies of modes 1, 2, 3, 4, and 6 have been obtained. Comparisons with other tetraatomic thiocarbonyls support the assignments. A ground state C—Br dissociation energy of 52.3 kcal mol−1 has been obtained from the onset of diffuseness in the [Formula: see text] spectra. A search for phosphorescence proved unsuccessful.

Rovibronic States in the X2Π State of the CCS− Anion

2003 ◽  
Vol 217 (3) ◽  
pp. 231-240 ◽  
Author(s):  
D. Panten ◽  
G. Chambaud ◽  
P. Rosmus ◽  
E. Riaplov ◽  
J. P. Maier
Keyword(s):  
Ground State ◽  
Three Dimensional ◽  
Equilibrium Geometry ◽  
Energy Functions ◽  
Potential Energy Functions ◽  
Condon Factors ◽  
Franck Condon ◽  
Electronic Affinity ◽  
Electronic Ground ◽  
Photodetachment Spectrum

AbstractThree-dimensional potential energy functions have been generated ab initio for the X2Π electronic ground state of CCS− and used in variational Renner–Teller calculations including electron spin. Rovibronic levels (J=P) for J≤5/2 are given for energies up to 4000cm−1. The pattern of the levels is compared with that of CCO−. In the case of CCS− the quartic force fields, equilibrium geometry, electric dipole moment, the electronic affinity and the Franck–Condon factors for the X2Π(CCS−) → X3Σ− (CCS) photodetachment spectrum are calculated.

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.

The Visible Absorption Spectrum of Diatomic Calcium

1975 ◽  
Vol 53 (5) ◽  
pp. 472-485 ◽  
Author(s):  
Walter J. Balfour ◽  
Rodger F. Whitlock
Keyword(s):  
Absorption Spectrum ◽  
Potential Energy ◽  
Ground State ◽  
Electronic States ◽  
Visible Absorption Spectrum ◽  
Weakly Bound ◽  
Visible Absorption ◽  
Condon Factors ◽  
Calcium Vapor ◽  
Franck Condon

The electronic spectrum of calcium vapor has been photographed in absorption from 460 to 600 nm. A many line spectrum due to Ca2 has been identified from vibrational and rotational analyses and a total of 3800 lines involving 47 bands in the A1Σu+ ← X1Σg+ system of 40Ca2 have been assigned. Analysis shows that the X1Σg+ state is weakly bound with a dissociation energy De″ = 1075 ± 150 cm−1. The A1Σu+ state is considerably more stable. Term values, Dunham coefficients, and RKR potential energy curves have been determined for both electronic states, and Franck–Condon factors, with their dependence on rotation, have been evaluated. The more important constants for the ground state are ωe″ = 64.93 cm−1, ωexe″ = 1.07 cm−1, re″ = 0.4277 nm and those of the upper state are, [Formula: see text], [Formula: see text].Le spectre électronique de la vapeur de calcium a été photographié en absorption, de 460 à 600 nm. Un spectre de plusieurs raies provenant de Ca2 a été identifié à partir des analyses vibrationnelle et rotationnelle; on a déterminé les transitions correspondant à un total de 3800 raies appartenant à 47 bandes du système A1Σu+ ← X1Σg+ de 40Ca2. L'analyse montre que l'état X1Σg+ est faiblement lié, avec une énergie de dissociation

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