| DOI | Resolve DOI: https://doi.org/10.1063/1.1367395 |
|---|
| Author | Search for: Koivisto, R.; Search for: Launila, O.; Search for: Schimmelpfennig, B.; Search for: Simard, B.1; Search for: Wahlgren, U. |
|---|
| Affiliation | - National Research Council Canada. NRC Steacie Institute for Molecular Sciences
|
|---|
| Format | Text, Article |
|---|
| Subject | chromium compounds; configuration interactions; fluorescence; Fourier transform spectra; infrared spectra; rotational states |
|---|
| Abstract | 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.> |
|---|
| Publication date | 2001-05-22 |
|---|
| Publisher | AIP Publishing LLC. |
|---|
| In | |
|---|
| Language | English |
|---|
| Peer reviewed | Yes |
|---|
| NPARC number | 12338050 |
|---|
| Export citation | Export as RIS |
|---|
| Report a correction | Report a correction (opens in a new tab) |
|---|
| Record identifier | c8e49568-575b-4b96-b6e9-27d9766bad3b |
|---|
| Record created | 2009-09-10 |
|---|
| Record modified | 2020-03-27 |
|---|
