Forbidden absorption bands of O2 in the argon continuum region

1969 ◽  
Vol 47 (17) ◽  
pp. 1805-1811 ◽  
Author(s):  
M. Ogawa ◽  
K. R. Yamawaki
Keyword(s):  
Absorption Spectrum ◽  
Ground State ◽  
Electronic States ◽  
Absorption Bands ◽  
Rotational Constants ◽  
Continuum Region

The absorption spectrum of O2 has been photographed in the argon continuum region with a 3-m vacuum spectrograph at a dispersion of 1.42 Å/mm. Based on the known rotational constants of the ground state, the rotational constants of the upper states have been determined for Tanaka progession (I), β–X3Σg−, progression (II), α1Σu+–X3Σ−, and those of a new band at 1144.6 Å. In a brief discussion of the upper electronic states, it is suggested that both the β state and the upper states of the 1144.6 Å band are 3Σu+ states and their electron configurations are (πg2p)(3pπ) and (πg2p)(4pπ), respectively, and also the α state is (πg2p)(3pπ)1Σu+.

ROTATIONAL ANALYSIS OF THE β BANDS OF PHOSPHORUS MONOXIDE

1959 ◽  
Vol 37 (2) ◽  
pp. 136-143 ◽  
Author(s):  
Nand Lal Singh
Keyword(s):  
Ground State ◽  
Band System ◽  
Electronic States ◽  
Rotational Analysis ◽  
Rotational Constants ◽  
Fine Structures ◽  
Π State

The fine structures of three of the β bands of PO which occur near 3200 Å have been analyzed. The analysis shows that the upper state of this band system is a 2Σ and not a 2Π state as previously believed. The rotational constants of both electronic states have been determined and it is found that the ground state constants, previously determined from the γ bands, are incorrect.

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 Absorption Spectrum of As2 Further Analysis of the A→X System and Observation of New Electronic States

1974 ◽  
Vol 29 (3) ◽  
pp. 429-435 ◽  
Author(s):  
Abdel Mooti Sibaï ◽  
Pierre Perdigon ◽  
Ari Topouzkhanian
Keyword(s):  
Absorption Spectrum ◽  
High Resolution ◽  
Energy Range ◽  
Electronic States ◽  
Absorption Bands ◽  
High Resolution Analysis ◽  
Resolution Analysis

Within the study of the interaction between A and B states of As2 molecule, a high resolution analysis of 16 absorption bands with 11 ≦ υ ≦ 17 in the A ← X system has been performed. The following constants are proposed for the A state: T00 = 40145.9 cm-1, ωe = 262.7 cm-1, ωe xe = 0.48 cm-1, Be = 0.0797 cm-1, De ≅ 3 X 10-8 cm-1 , αe = 0.00031 cm-1 , re = 2.374 Å. Three new vibronic levels have been discovered in the 42 400 -44 500 cm-1 energy range, either directly or by the perturbations they induce in A levels

The A2Πi–X2Πi absorption spectrum of BrO

1981 ◽  
Vol 59 (12) ◽  
pp. 1908-1916 ◽  
Author(s):  
M. Barnett ◽  
E. A. Cohen ◽  
D. A. Ramsay
Keyword(s):  
Absorption Spectrum ◽  
Absorption Spectra ◽  
Ground State ◽  
Flash Photolysis ◽  
Absorption Bands ◽  
Long Wavelength ◽  
Numbering Scheme ◽  
Ozonized Oxygen ◽  
Good Agreement

Absorption spectra of isotopically enriched 81Br16O and of normal BrO have been obtained by the flash photolysis of mixtures of bromine and ozonized oxygen. Rotational analyses are given for the 7–0, 12–0, 18–0, 19–0, 20–0, 21–0, 7–1, and 20–1 A2Π3/2–X2Π3/2 sub-bands of 81Br16O. The value for [Formula: see text] is found to be 722.1 ± 1.1 cm−1 in good agreement with the value calculated from microwave constants. Several additional bands have been found at the long wavelength end of the spectrum, necessitating a revision of the vibrational numbering scheme for both the emission and absorption bands. "Hot" bands up to ν″ = 6 have been observed in the absorption spectrum for the 2Π3/2 component of the ground state but no bands have yet been identified from the 2Π1/2 component.

The electronic spectrum of F2

1976 ◽  
Vol 54 (13) ◽  
pp. 1343-1359 ◽  
Author(s):  
E. A. Colbourn ◽  
M. Dagenais ◽  
A. E. Douglas ◽  
J. W. Raymonda
Keyword(s):  
Absorption Spectrum ◽  
Ground State ◽  
Band System ◽  
Rydberg States ◽  
Rotational Analysis ◽  
Interaction Energies ◽  
Rydberg Series ◽  
Rotational Constants ◽  
Vibrational Levels ◽  
Ionic States

The absorption spectrum of F2 in the 780–1020 Å range has been photographed at sufficient resolution to allow a rotational analysis of many bands. A large number of vibrational levels of three ionic states have been observed and their rotational constants determined. Many perturbations in the rotational structure caused by the interaction between the three states have been investigated and the interaction energies determined. The rotational and vibrational structures of a few Rydberg states have also been analyzed in detail but no Rydberg series have been identified. The difficulties in assigning the observed states are discussed. A 1Σu+ – X1Σg+ emission band system has been observed in the 1100 Å region. An analysis of the bands of this system has allowed us to determine the term values and rotational constants of all the vibrational levels of the ground state with ν ≤ 22. The dissociation energy, D0(F2), is found to be greater than 12 830 and is estimated to be 12 920 ± 50 cm−1.

The absorption spectrum of liquid bromine

1937 ◽  
Vol 162 (910) ◽  
pp. 414-419 ◽  
Author(s):  
D. Porret ◽  
Frederick George Donnan
Keyword(s):  
Absorption Spectrum ◽  
Absorption Spectra ◽  
Ground State ◽  
Wave Length ◽  
Electronic States ◽  
Excited Electronic States ◽  
Long Wave ◽  
Liquid Bromine ◽  
Continuous Absorption ◽  
The Continuum

The continuous absorption spectra of gaseous bromine (Peskow 1917; Ribaud 1919; Gray and Style 1929; Acton, Aikin and Bayliss 1936) and of dissolved bromine (Bovis 1929; Gillam and Morton 1929) have been studied many times. They present a wide continuum (from about 30, 000 to 17, 000 cm. -1 .) with a maximum at 24, 000 cm. -1 . For the gas the continuum is preceded by two band systems on the long wave-length side. These systems converge at 19, 585 and 15, 896 cm. -1 . respectively. Acton, Aikin and Bayliss (1936) have shown that the continuum is not simple, and Mulliken (1936) and Darbyshire (1937) have pointed out that there are three overlapping continua corresponding to transitions from the ground state to three different excited electronic states. There are 3 II 0 + ← 1 Σ g , 3 II 1 ← 1 Σ g and 1 II ← 1 Σ g . The absorption spectrum of liquid bromine has been studied by Bovis (1929) form 18, 525 to 31, 750c cm. -1 . and by Camichel (1893) for two frequencies only (16, 978 and 18, 691 cm. -1 ).

ABSORPTION SPECTRA OF C3 AND C3H2 FROM THE FLASH PHOTOLYSIS OF DIAZOPROPYNE

1967 ◽  
Vol 45 (12) ◽  
pp. 4103-4111 ◽  
Author(s):  
A. J. Merer
Keyword(s):  
Absorption Spectrum ◽  
Free Radical ◽  
Ground State ◽  
Time Delays ◽  
Flash Photolysis ◽  
State Level ◽  
Vibrational Structure ◽  
Absorption Bands ◽  
Text Component ◽  
Ground State Level

The flash photolysis of diazopropyne (HC2∙CHN2) provides a particularly strong absorption spectrum of the free C3 radical. About 40 μs after the photolysis flash, the appearance of the [Formula: see text] (4 050 Å) system of C3 is similar to that obtained in the flash photolysis of diazomethane by Gausset, Herzberg, Lagerqvist, and Rosen, though much more intense. The intensity of the spectrum has permitted a study of the l-type doubling effect in the ground-state level 6ν2, of which the [Formula: see text] component has been found to lie at 458.2 cm−1. At shorter time delays [Formula: see text] the spectrum is complicated by bands arising from the levels ν1″ (1 224.5 cm−1) and 2ν1″ (2 436.0 cm−1).Below 3 700 Å the C3 spectrum is overlapped by absorption bands belonging to a new free radical, which has been identified from the intensity alternation in the rotational structure as the HCCCH radical. The vibrational structure of this system is exceptionally complex, and analysis has not been possible. The bands extend to about 3 100 Å, but are predissociated below 3 450 Å.

The ultraviolet absorption spectrum of the F 2 CN radical

1967 ◽  
Vol 300 (1462) ◽  
pp. 405-414 ◽  
Keyword(s):  
Molecular Structure ◽  
Absorption Spectrum ◽  
Ground State ◽  
Flash Photolysis ◽  
Ultraviolet Absorption ◽  
Ultraviolet Absorption Spectrum ◽  
Rotational Analysis ◽  
Absorption Bands ◽  
New System

A new system of absorption bands near 3600 Å has been observed during the flash photolysis of CF 3 NCF 2 and is ascribed to the free F 2 CN radical. The rotational analysis of the 0–0 band leads to the ground state molecular structure r CF = 1.310 Å (assumed), r CN = 1.265 ± 0.02 Å, FCF angle = 113.5 + 1°. The bands are shown to be type A bands arising from the transition 2 A 1 ← 2 B 2 , and the spectrum is compared with those of the iso-electronic molecules NO 3 and F 2 BO.

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

Theoretical calculation of the low-lying electronic states of the LaH molecule

2014 ◽  
Vol 92 (9) ◽  
pp. 855-861 ◽  
Author(s):  
Salman Mahmoud ◽  
Mahmoud Korek
Keyword(s):  
Potential Energy ◽  
Internuclear Distance ◽  
Ground State ◽  
Electronic States ◽  
Electronic Energy ◽  
Centrifugal Distortion ◽  
Harmonic Frequency ◽  
Rotational Constants ◽  
Centrifugal Distortion Constants ◽  
First Time

The potential energy curves of the low-lying electronic states of the LaH molecule are reported via the CASSCF method with multireference calculations (single and double excitations with Davidson corrections). Twenty-four low-lying electronic states of the LaH molecule in the representation 2s+1Λ(+/−) below 20 000 cm−1 were investigated along with five lower electronic states in the Ω representation. The harmonic frequency ωe, the equilibrium internuclear distance Re, the rotational constants Be, and the electronic energy with respect to the ground state Te were calculated for these states. Twelve new electronic states are investigated in the present work for the first time that have not yet been observed experimentally. Using the canonical functions approach, the eigenvalues Ev, the rotational constants Bv, the centrifugal distortion constants Dv, and the abscissas of the turning points Rmin and Rmax were calculated for the investigated electronic states up to vibrational level v = 43.

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