| DOI | Trouver le DOI : https://doi.org/10.1063/1.1367395 |
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| Auteur | Rechercher : Koivisto, R.; Rechercher : Launila, O.; Rechercher : Schimmelpfennig, B.; Rechercher : Simard, B.1; Rechercher : Wahlgren, U. |
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| Affiliation | - Conseil national de recherches du Canada. Institut Steacie des sciences moléculaires du CNRC
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| Format | Texte, Article |
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| Sujet | chromium compounds; configuration interactions; fluorescence; Fourier transform spectra; infrared spectra; rotational states |
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| Résumé | The B⁶Π–X ⁶Σ⁺ band system of the CrCl radical has been recorded in thermal emission with FTS techniques in the region 6900–11 700 cm⁻¹, using a resolution of 0.025 cm⁻¹. An analysis of the (0,0) band of this system has been carried out. A rotational constant of B₀=0.1615 cm⁻¹ and a spin–orbit parameter of A₀=51 cm⁻¹ have been estimated for the B⁶Π state. Improved values for the γ and λ parameters of the X ⁶Σ⁺ground state have been obtained. MRCI calculations have been performed on CrF and CrCl and comparisons have been made with both experiments and DFT calculations [Bencheikh et al., J. Chem. Phys. 106, 6231 (1997)]. The calculations on CrF have provided valuable aids in the interpretations of the fluorescence excitation and dispersed fluorescence spectra of a state observed at 31 700 cm⁻¹. This state has now been assigned as D⁶Π. A number of transitions in the dispersed fluorescence spectra are believed to involve the hitherto unknown C⁶Δ state. Spin–orbit-configuration-interaction (SO-CI) calculations have been carried out on both CrF and CrCl. It is shown that the second-order spin–orbit parameters λe of the X ⁶Σ⁺ ground states are due mainly to interactions with the B ⁶Π states.> |
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| Date de publication | 2001-05-22 |
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| Maison d’édition | AIP Publishing LLC. |
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| Dans | |
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| Langue | anglais |
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| Publications évaluées par des pairs | Oui |
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| Numéro NPARC | 12338050 |
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| Exporter la notice | Exporter en format RIS |
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| Signaler une correction | Signaler une correction (s'ouvre dans un nouvel onglet) |
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| Identificateur de l’enregistrement | c8e49568-575b-4b96-b6e9-27d9766bad3b |
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| Enregistrement créé | 2009-09-10 |
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| Enregistrement modifié | 2020-03-27 |
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