Refined molecular constants for the states of H2

1985 ◽  
Vol 63 (11) ◽  
pp. 1416-1417 ◽  
Author(s):  
Michel Larzillière ◽  
Françoise Launay ◽  
Jean-Yves Roncin
Keyword(s):  
Ground State ◽  
Molecular Constants

Refined molecular constants for the states C, D, D′, and D″ [Formula: see text] of H2 have been obtained using the best values of the ground-state constants derived recently by Dabrowski. A few high J values of C and D states are reassigned.

Molecular Constants of the Ground State of the I2 Molecule

1951 ◽  
Vol 19 (9) ◽  
pp. 1210-1211 ◽  
Author(s):  
D. H. Rank ◽  
William. M. Baldwin
Keyword(s):  
Ground State ◽  
Molecular Constants

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.

Molecular constants of the ground state of I2

1964 ◽  
Vol 13 (1-4) ◽  
pp. 34-42 ◽  
Author(s):  
D.H. Rank ◽  
B.S. Rao
Keyword(s):  
Ground State ◽  
Molecular Constants

BAND SPECTRUM AND STRUCTURE OF THE CH+ MOLECULE; IDENTIFICATION OF THREE INTERSTELLAR LINES

1942 ◽  
Vol 20a (6) ◽  
pp. 71-82 ◽  
Author(s):  
A. E. Douglas ◽  
G. Herzberg
Keyword(s):  
Ground State ◽  
Band System ◽  
Lower State ◽  
Band Spectrum ◽  
Interstellar Space ◽  
Molecular Constants ◽  
Vibrational Levels ◽  
State Formula ◽  
Heat Of Dissociation ◽  
Π State

In a discharge through helium, to which a small trace of benzene vapour is added, a new band system of the type 1Π – 1Σ is found which is shown to be due to the CH+ molecule. The R(0) lines of the 0–0, 1–0, and 2–0 bands of the new system agree exactly with the hitherto unidentified interstellar lines 4232.58, 3957.72, 3745.33 Å, thus proving that CH+ is present in interstellar space. At the same time this observation of the band system in absorption shows that the lower state 1Σ is the ground state of the CH+ molecule. The new bands are closely analogous to the 1II – 1Σ+ BH bands. The analysis of the bands leads to the following vibrational and rotational constants of CH+ in its ground state: [Formula: see text], Be″ = 14.1767, αe″ = 0.4898 cm.−1. The internuclear distance is re″ = 1.1310∙10−8 cm. (for further molecular constants see Table V). From the vibrational levels of the upper 1Π state the heat of dissociation of CH+ can be obtained within fairly narrow limits: D0(CH+) = 3.61 ± 0.22 e.v. From this value the ionization potential of CH is derived to be I(CH) = 11.13 ± 0.22 e.v. The bearing of this value on recent work on ionization and dissociation of polyatomic molecules by electron impacts is briefly discussed.

Born–Oppenheimer breakdown in the ground state of carbon monoxide: A direct reduction of spectroscopic line positions to analytical radial Hamiltonian operators

1992 ◽  
Vol 70 (1) ◽  
pp. 40-54 ◽  
Author(s):  
John A. Coxon ◽  
Photos G. Hajigeorgiou
Keyword(s):  
Carbon Monoxide ◽  
Ground State ◽  
Direct Reduction ◽  
Direct Determination ◽  
Quantum Mechanical ◽  
Rotational Line ◽  
Molecular Constants ◽  
Full Account ◽  
Radial Wave ◽  
Line Positions

A collection of 10 866 of the most precise ground-state (X1Σ+) vibration–rotational and pure rotational line positions of four carbon monoxide isptopomers (12C16O, 12C18O, 13C16O, and 13C18O) is employed simultaneously in a direct determination of the radial Hamiltonian operator in compact analytical form. The 22-parameter isotopically self-consistent operator takes full account of the Born–Oppenheimer breakdown and its quantum-mechanical eigenvalues represent all the available spectroscopic line positions of CO isotopomers to within the experimental uncertainties. Rayleigh–Schrödinger perturbation theory is employed to calculate quantum-mechanical molecular constants of rotation (Bν – Mν) for nine common isotopomeric forms of CO. Together with the quantum-mechanical vibrational eigenvalues these are fully consistent with the exact eigenvalues obtained by direct solution of the radial wave equation. The set of constants is expected to provide an accurate prediction of line positions of CO isotopomers that have not yet been experimentally observed.

THE ABSORPTION SPECTRUM OF BO2

1961 ◽  
Vol 39 (12) ◽  
pp. 1738-1768 ◽  
Author(s):  
J. W. C. Johns
Keyword(s):  
Absorption Spectrum ◽  
Excited State ◽  
Detailed Analysis ◽  
Ground State ◽  
Flash Photolysis ◽  
Electronic Transitions ◽  
Molecular Constants ◽  
Boron Trichloride ◽  
Symmetric Molecule ◽  
First Excited State

The boron flame bands have been observed in absorption during the flash photolysis of mixtures of boron trichloride and oxygen. Detailed analysis of the spectrum has shown that the bands arise from two electronic transitions in the linear symmetric molecule BO2, [Formula: see text] and A2Πu−X2Πg. The main molecular constants, in cm−1 except for r0, are summarized below:[Formula: see text]Both 2Π states show the Renner effect. In the ground state the Renner parameter, εω2, was found to be −92.2, whereas in the first excited state it is much smaller, −13.1 cm−1.

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