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

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.

scholarly journals Dissociation Energies, r-Centroids and Franck-Condon Factors of H2 and N2+ Astrophysical Important Molecules

2021 ◽  
Vol 8 (S1-Feb) ◽  
pp. 111-125
Author(s):  
Lingaraju K ◽  
Narasimhulu G ◽  
Bala Krishnaiah ◽  
Rama Gopal Mohan K ◽  
Ramesha M S
Keyword(s):  
Potential Energy ◽  
Ground State ◽  
Analytical Method ◽  
Potential Energy Curves ◽  
Dissociation Energies ◽  
Approximate Analytical Method ◽  
Condon Factors ◽  
Franck Condon ◽  
Good Agreement

The potential energy curves for the ground state of diatomic H2 and N2+ molecules are constructed techniques using the five-parameter H-H function. The estimated dissociation energies are 4.61 ± 0.1 eV and 8.70 ± 0.20 eV for H2 and N2+ respectively. The estimated D0 values are in good agreement with literature values. The r-Centroids and Franck-Condon factors for the bands of C1∏u → X1Σ+g of H2 and A2∏u1 → 4Σu+ X of N2+ molecules have been determined. The Franck-Condon factors are evaluated by the approximate analytical method of Jarmain and Fraser. The absence of the bands in these systems is explained.

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.

THE ABSORPTION SPECTRUM OF CF2

1967 ◽  
Vol 45 (7) ◽  
pp. 2355-2374 ◽  
Author(s):  
C. Weldon Mathews
Keyword(s):  
Absorption Spectrum ◽  
Electronic State ◽  
Ground State ◽  
Band System ◽  
Electronic States ◽  
Vibrational Structure ◽  
Rotational Structure ◽  
Transition Moment ◽  
High Dispersion ◽  
Parallel Type

The absorption spectrum of CF2 in the 2 500 Å region has been photographed at high dispersion, and the rotational structure of a number of bands has been analyzed. The analysis of the well-resolved subbands establishes that these are perpendicular- rather than parallel-type bands, as previously assigned. Further analysis shows that the upper and lower electronic states are of 1B1 and 1A1symmetries respectively, corresponding to a transition moment that is perpendicular to the plane of the molecule. In the upper electronic state, r0(CF) = 1.32 Å and [Formula: see text], while in the ground state, r0(CF) = 1.300 Å and [Formula: see text]. An investigation of the vibrational structure of the band system has shown that the vibrational numbering in ν2′ must be increased by one unit from earlier assignments, thus placing the 000–000 band near 2 687 Å (37 220 cm−1). A search between 1 300 and 8 500 Å showed two new band systems near 1 350 and 1 500 Å which have been assigned tentatively to the CF2 molecule.

scholarly journals Direct observation of o-benzyne formation in photochemical hexadehydro-Diels–Alder (hν-HDDA) reactions

2020 ◽  
Vol 11 (34) ◽  
pp. 9198-9208 ◽  
Author(s):  
Xiaonan Ma ◽  
Jan Maier ◽  
Michael Wenzel ◽  
Alexandra Friedrich ◽  
Andreas Steffen ◽  
...  
Keyword(s):  
Absorption Spectrum ◽  
Direct Observation ◽  
Diels Alder ◽  
Visible Absorption Spectrum ◽  
Visible Absorption ◽  
First Time

We report the transient ultraviolet/visible absorption spectrum of an o-benzyne species in solution for the first time.

The visible absorption spectrum of NO2: A three-mode nuclear dynamics investigation

1985 ◽  
Vol 111 (2) ◽  
pp. 377-397 ◽  
Author(s):  
E Haller ◽  
H Köppel ◽  
L.S Cederbaum
Keyword(s):  
Absorption Spectrum ◽  
Visible Absorption Spectrum ◽  
Visible Absorption ◽  
Nuclear Dynamics

Authentication and Analysis of Olive Oil Based on Stimulated Brillouin Scattering and UV-Visible Absorption Spectrum

2018 ◽  
Vol 45 (9) ◽  
pp. 0911016
Author(s):  
曹晨鹏 Cao Chenpeng ◽  
郝仕国 Hao Shiguo ◽  
罗宁宁 Luo Ningning ◽  
史久林 Shi Jiulin ◽  
何兴道 He Xingdao
Keyword(s):  
Absorption Spectrum ◽  
Olive Oil ◽  
Brillouin Scattering ◽  
Stimulated Brillouin Scattering ◽  
Visible Absorption Spectrum ◽  
Visible Absorption ◽  
Uv Visible ◽  
Stimulated Brillouin

True Potential Energy Curves, dissociation energy,r-centroids and Franck—Condon factors of the AsS+ molecule

1981 ◽  
Vol 50 (4) ◽  
pp. 367-372 ◽  
Author(s):  
M. Venkata Ramanaiah ◽  
S. V. J. Lakshman
Keyword(s):  
Potential Energy ◽  
Dissociation Energy ◽  
Potential Energy Curves ◽  
Condon Factors ◽  
Franck Condon

scholarly journals The visible absorption spectrum of water.

1980 ◽  
Vol 56 (7) ◽  
pp. 403-407 ◽  
Author(s):  
Hiroshi TSUBOMURA ◽  
Naoto YAMAMOTO ◽  
Nobutaka MATSUO ◽  
Yoshio OKADA
Keyword(s):  
Absorption Spectrum ◽  
Visible Absorption Spectrum ◽  
Visible Absorption
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