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Article

High-Temperature Optical Spectra of Diatomic Molecules: Influence of the Avoided Level Crossing

Institute of Physics, 10000 Zagreb, Croatia
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Atoms 2020, 8(2), 28; https://doi.org/10.3390/atoms8020028
Received: 26 May 2020 / Revised: 9 June 2020 / Accepted: 10 June 2020 / Published: 15 June 2020
(This article belongs to the Special Issue Atomic and Ionic Collisions with Formation of Quasimolecules)
In this study, we analyzed the light absorption by diatomic molecules or colliding atoms in a spectral region dominated by an avoided crossing of adiabatic state levels or crossing of the corresponding diabatic state levels. Our attention was focused on the low-resolution spectrum at a higher gas temperature under local thermodynamic equilibrium conditions. The absorption measurements of mixed vapors of potassium (≈80%) and cesium (≈20%) were made in the temperature range of 542–715 K and the infrared spectral range 900–1250 nm. In this area, the main spectral contributions were the broad A 1 Σ ( u ) + ( 0 ( u ) + ) X 1 Σ ( g ) + ( 0 ( g ) + ) bands of K2, Cs2, and KCs molecules. There was a crossing of A 1 Σ ( u ) + ( 0 ( u ) + ) and b 3 Π ( u ) ( 0 ( u ) + ) state potential curves and the coupling of this state was due to the matrix element A 1 Σ ( u ) + ( 0 ( u ) + ) | H s o | b 3 Π ( u ) ( 0 ( u ) + ) of the spin–orbit interaction. Using data for relevant electronic potential curves and transition dipole moments existing in the literature, the spectra of the A 1 Σ ( u ) + ( 0 ( u ) + ) X 1 Σ ( g ) + ( 0 ( g ) + ) molecular bands of K2, Cs2, and KCs molecules were calculated. Full quantum mechanical and semi-quantum coupled channel calculations were done and compared with their non-coherent adiabatic or diabatic approximations. Through the comparison of our theoretical and experimental spectra, we identified all observed spectral features and determined the atoms’ number density and gas temperature. View Full-Text
Keywords: diatomic molecules; optical spectra; spin-orbit coupling; non-adiabatic transitions; thermodynamic equilibrium diatomic molecules; optical spectra; spin-orbit coupling; non-adiabatic transitions; thermodynamic equilibrium
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MDPI and ACS Style

Beuc, R.; Pichler, G. High-Temperature Optical Spectra of Diatomic Molecules: Influence of the Avoided Level Crossing. Atoms 2020, 8, 28. https://doi.org/10.3390/atoms8020028

AMA Style

Beuc R, Pichler G. High-Temperature Optical Spectra of Diatomic Molecules: Influence of the Avoided Level Crossing. Atoms. 2020; 8(2):28. https://doi.org/10.3390/atoms8020028

Chicago/Turabian Style

Beuc, Robert; Pichler, Goran. 2020. "High-Temperature Optical Spectra of Diatomic Molecules: Influence of the Avoided Level Crossing" Atoms 8, no. 2: 28. https://doi.org/10.3390/atoms8020028

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