The emission spectrum of the CO2+ ion: rovibronic analysis of the band system

1979 ◽  
Vol 57 (10) ◽  
pp. 1634-1649 ◽  
Author(s):  
D. Gauyacq ◽  
C. Larcher ◽  
J. Rostas
Keyword(s):  
Experimental Data ◽  
Emission Spectrum ◽  
Band System ◽  
Theoretical Models ◽  
Rotational Analysis ◽  
Molecular Constants ◽  
Bending Vibration ◽  
Triatomic Molecules ◽  
First Time ◽  
Accurate Experimental Data

The Renner–Teller structure of the [Formula: see text] and Ã2Πu states of the CO2+ ion has been studied thanks to the identification and rotational analysis of the vibronic bands of the [Formula: see text] and [Formula: see text] systems, associated with the first quantum of the bending vibration in the [Formula: see text], Ã, and [Formula: see text] states. The bending structure of the à state has been understood and the corresponding parameters ω2 and ε have been determined for the first time. The simultaneous analysis of the 12CO2+ and 13CO2+ appropriate bands has led us to revise our earlier value of the Renner parameter for the [Formula: see text] state, derived from the [Formula: see text] system. In addition, three bands of the main progression ν′00–000 (ν′ = 0, 1, and 2) have been reanalyzed in order to obtain a consistent set of molecular parameters. The main molecular constants (in cm−1; r0 in Å) are summarized below for 12CO2+:[Formula: see text]The accurate experimental data derived from the CO2+ spectrum are discussed in the framework of the most recent theoretical models of the rovibronic structure of linear triatomic molecules.

A comprehensive re-analysis of the O 2 (B 3 Ʃ – u – X 3 Ʃ – g ) Schumann-Runge band system

1975 ◽  
Vol 341 (1627) ◽  
pp. 517-536 ◽  
Keyword(s):  
Emission Spectrum ◽  
Band System ◽  
Critical Assessment ◽  
Emission Lines ◽  
Molecular Constants ◽  
Self Consistent ◽  
Computer Based ◽  
First Time

The emission spectrum of O 2 has been excited, recorded and measured between 2116 and 5663 Å. Of the 7700 emission lines which were measured, 5400 have been assigned to 87 bands of the B 3 Ʃ – u — X 3 Ʃ – g Schumann-Runge system of O 2 . Many of these are reported for the first time. A computer-based Loomis-Wood method has been used to assign all of these measurements to unambiguous transitions from which a self-consistent set of molecular constants has been derived. Molecular constants for the b 1 Ʃ + g – X 3 Ʃ – g atmospheric red system of O 2 have been recalculated. A critical assessment has been made of the molecular constants derived from all previous analyses of the Schumann-Runge system.

Isotope Shifts and Rotational Analysis of the As32S+A1Π–X1Σ Band System

1975 ◽  
Vol 53 (8) ◽  
pp. 831-840 ◽  
Author(s):  
Midori Shimauchi ◽  
Shiro Karasawa
Keyword(s):  
Emission Spectrum ◽  
Discharge Tube ◽  
Band System ◽  
Dissociation Limit ◽  
Rotational Analysis ◽  
Molecular Constants ◽  
Isotope Shifts ◽  
Dissociation Energies ◽  
Quantum Numbers

The emission spectrum of As32S+ and As34S+ has been excited in a quartz discharge tube by a 27 MHz oscillator. Vibrational isotope shifts have verified the vibrational quantum numbers of the upper and lower states. The 2–0, 1–0, 1–1, 0–1, 2–1, and 1–2 bands were chosen for the first rotational analysis of the As32S+ spectrum. The analysis has established that the transition is 1Π–1Σ. The principal molecular constants are as follows:[Formula: see text]Calculated dissociation energies based on the above constants and observed Tc suggest that X1Σ and A1Π have a common dissociation limit, As+(3P) + S(3P). In the upper state several perturbations have been found.

The 4875 Å Band System of cis Glyoxal

1971 ◽  
Vol 49 (3) ◽  
pp. 317-322 ◽  
Author(s):  
G. N. Currie ◽  
D. A. Ramsay
Keyword(s):  
High Resolution ◽  
Trans Isomer ◽  
Band System ◽  
Rotational Analysis ◽  
Molecular Constants ◽  
Rotational Constants ◽  
Type C ◽  
First Time ◽  
Cis Isomer

The 4875 Å band of glyoxal has been photographed in absorption under high resolution and a rotational analysis carried out. The band is of type C and the principal molecular constants are: A′ = 0.9069 cm−1, B′ = 0.1983 cm−1, C′ = 0.1627 cm−1, A″ = 0.8910 cm−1, B″ = 0.2066 cm−1, C″ = 0.1681 cm−1, v0 = 20 507.57 cm−1. The A-rotational constants are smaller by a factor of ~2 than the constants found earlier for trans glyoxal. The new results are consistent with the assignment of the band to an allowed 1B1–1A1 (π*–n) transition of cis glyoxal. Temperature studies indicate that the cis isomer lies 1125 ± 100 cm−1 above the trans isomer. This is the first time that cis glyoxal has been detected experimentally.

Rotational Analysis of the lΠ–XlΣ+ System of C80Se

1974 ◽  
Vol 52 (9) ◽  
pp. 813-820 ◽  
Author(s):  
René Stringat ◽  
Jean-Paul Bacci ◽  
Marie-Hélène Pischedda
Keyword(s):  
Emission Spectrum ◽  
Ground State ◽  
High Frequency ◽  
Rotational Analysis ◽  
Molecular Constants ◽  
High Frequency Discharge ◽  
Perturbed State ◽  
Simple Evaluation ◽  
Π State

The strongly perturbed 1Π–X1Σ+ system of C80Se has been observed in the emission spectrum of a high frequency discharge through selenium and carbon traces in a neon atmosphere. The analysis of five bands yields, for the molecular constants of the ground state, the values Be″ = 0.5750 cm−1, [Formula: see text], αe″ = 0.00379 cm−1, re″ = 1.676 Å, ΔG″(1/2) = 1025.64 cm−1, and ΔG″(3/2) = 1015.92 cm−1. The numerous perturbations in the 1Π state prohibit the simple evaluation of the constants of the perturbed state and of the perturbing ones.

Rotational Analysis of the A2Π–X2Σ+ Band System of the BeBr Molecule

1975 ◽  
Vol 53 (14) ◽  
pp. 1321-1326 ◽  
Author(s):  
M. Carleer ◽  
M. Herman ◽  
R. Colin
Keyword(s):  
High Resolution ◽  
Hollow Cathode ◽  
Band System ◽  
Rotational Analysis ◽  
Molecular Constants ◽  
Bromine Vapor

A rotational analysis has been performed on the 0–0 band of the A2Π–X2Σ+ transition of the BeBr molecule photographed at high resolution in emission from a beryllium hollow cathode in the presence of bromine vapor. The following principal molecular constants have been determined:[Formula: see text]

The Spectrum of CuO: Rotational Analysis of a 2Σ−–X2Πi Transition

1975 ◽  
Vol 53 (19) ◽  
pp. 2221-2231 ◽  
Author(s):  
O. Appelblad ◽  
A. Lagerqvist
Keyword(s):  
Band System ◽  
Rotational Analysis ◽  
Molecular Constants ◽  
Blue Band

A blue band system of CuO, a 2Σ−–X2Πi transition, has been rotationally analyzed. The relative branch intensities differ from those of a pure 2Σ–2Π transition. The molecular constants of all the known states of CuO are given.

STRUCTURE OF THE BAND SPECTRUM OF THE CuBr MOLECULE: I. ROTATIONAL STRUCTURE OF THE C SYSTEM OF 63Cu81Br

1967 ◽  
Vol 45 (8) ◽  
pp. 2805-2807 ◽  
Author(s):  
P. Ramakoteswara Rao ◽  
K. V. S. R. Apparao
Keyword(s):  
Fine Structure ◽  
High Resolution ◽  
Structure Analysis ◽  
Band System ◽  
Rotational Structure ◽  
Band Spectrum ◽  
Rotational Analysis ◽  
Molecular Constants ◽  
Fine Structure Analysis

The C band system of 63Cu81Br, lying in the region 3 900–4 600 Å, has been photographed in emission under high resolution and rotational analysis of the (2–0), (1–0), (0–0), (0–1), (0–2), and (1–3) bands carried out. The system is shown to involve a 1Σ(C1Σ)–1Σ(X1Σ) transition. The molecular constants of 63Cu81Br obtained from this fine-structure analysis are as follows:[Formula: see text]

Spectrum of AsS. I. Analysis of the A′2Π3/2–X2Π3/2 Band System

1971 ◽  
Vol 49 (10) ◽  
pp. 1249-1254 ◽  
Author(s):  
Midori Shimauchi
Keyword(s):  
High Resolution ◽  
Emission Spectrum ◽  
Ground State ◽  
Band System ◽  
Vibrational Analysis ◽  
Quartz Tube ◽  
Rotational Analysis ◽  
Vibrational Constants

The emission spectrum of the AsS radical, excited in a quartz tube by a 2450 MHz oscillator, was photographed on a high resolution spectrograph from 2450 to 6900 Å. Seven bands around 6000 Å showing clear rotational structures were chosen for the first rotational analysis of the AsS spectrum. The bands were found to arise from a 2Π3/2–2Π3/2 transition. The rotational and vibrational constants of the two states derived from the present work are consistent with the previous vibrational analysis of the A′2Π3/2–X2Π3/2 system. The constants of the upper doublet component of the ground state, X2Π3/2, are ωe = 562.40 cm−1, ωexe = 2.02 cm−1, re = 2.0216 Å; the constants of the A′2Π3/2 state are ΔG′(1/2) = 403.37 cm−1, ν0,0 = 18 621.21 cm−1, re = 2.2500 Å.

Analyse vibrationnelle et rotationnelle de la transition A2Σ+–X2Πi de la molécule 63Cu80Se

1976 ◽  
Vol 54 (16) ◽  
pp. 1664-1668 ◽  
Author(s):  
Y. Lefebvre ◽  
J. L. Bocquet
Keyword(s):  
Band System ◽  
High Dispersion ◽  
Rotational Analysis ◽  
Molecular Constants ◽  
Visible Band ◽  
Π State

High dispersion vibrational and rotational analysis of a 63Cu80Se visible band system has been performed.The presence of a splitting proportional to [Formula: see text] in each observed subsystem indicates that these bands arise from a transition from a 2Σ state (with γ-type doubling) to a 2Π state. This hypothesis allows us to derive specific molecular constants of these two states.

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