Calculation of molecular spectra. Electronic transitions, vibrational patterns and radiative lifetimes of spin-allowed and spin-forbidden transitions

1984 ◽  
Vol 19 ◽  
pp. 63 ◽  
Author(s):  
Sigrid D. Peyerimhoff
Keyword(s):  
Electronic Transitions ◽  
Molecular Spectra ◽  
Radiative Lifetimes ◽  
Calculation Of Molecular Spectra ◽  
Forbidden Transitions

On the first electronic transitions in molecular spectra of conjugated diphenylpolyenes: A reappraisal

2019 ◽  
Vol 525 ◽  
pp. 110422 ◽  
Author(s):  
Javier Catalán ◽  
Cristina Díaz-Oliva ◽  
Juan Carlos del Valle
Keyword(s):  
Electronic Transitions ◽  
Molecular Spectra

FORBIDDEN TRANSITIONS IN DIATOMIC MOLECULES: IV. THE a′3Σ+ ← XlΣ+ AND e3Σ− ← X1Σ+ ABSORPTION BANDS OF CARBON MONOXIDE

1955 ◽  
Vol 33 (12) ◽  
pp. 757-772 ◽  
Author(s):  
G. Herzberg ◽  
T. J. Hugo
Keyword(s):  
Carbon Monoxide ◽  
Diatomic Molecules ◽  
Electronic Transitions ◽  
Absorption Bands ◽  
Unusual Structure ◽  
Precise Data ◽  
Forbidden Transitions ◽  
Perturbation Data ◽  
Vibrational Constants ◽  
Heteronuclear Molecules

Two examples of forbidden electronic transitions in heteronuclear molecules, 3Σ+ – 1Σ+ and 3Σ− – 1Σ+, are studied in the spectrum of the CO molecule. The bands have been obtained in absorption in the region 1750 to 1230 Å with absorbing paths up to 400 cm-atm., using the fourth and fifth orders of a 3 meter vacuum spectrograph. In most of the 3Σ+ – 1Σ+ bands all four predicted branches are observed. For the 3Σ− – 1Σ+ bands, a somewhat unusual structure is predicted: two branches of O and S form and three branches of Q form. In the best-resolved bands, four branches are observed which closely fit the predicted branches, two of the Q branches being very nearly coincident and unresolved in the present spectra. The rotational and vibrational constants of the upper states, a′3Σ+ and e3Σ− of the two band systems have been determined. Some of these data had previously been obtained from perturbations in other band systems of CO. On the whole, the perturbation data agree satisfactorily with the more precise data obtained directly in the present study.

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