1. Fourier transform emission spectroscopy and ab initio calculations on the visible spectrum of AlD[formula omitted].
- Author
-
Szajna, Wojciech, Hakalla, Rafał, Moore, Keith, and Lane, Ian C.
- Subjects
- *
SPIN-orbit coupling constants , *BRANCHING ratios , *DECAY schemes (Radioactivity) , *FOURIER transform infrared spectroscopy , *SPIN-orbit interactions - Abstract
Highlights • High resolution analysis of AlD+ (A2Π - X 2 Σ +) FTS spectra. • Improved molecular constants of the X 2 Σ + state of AlD+. • Experimental and theoretical study of the Λ-doubling of the A2Π v=0,1 levels. • Spin-orbit potentials to the first two atomic limits. • Calculated lifetimes and branching ratios for the A2Π and B 2 Σ + states of AlD +. Graphical abstract Abstract The spectrum of the AlD + isotopologue has been investigated at high resolution in the 27 , 000 − 29 , 000 cm − 1 region using a Fourier transform emission spectroscopy technique. The AlD + molecules were produced within a water-cooled aluminum hollow-cathode lamp in the presence of 1.5 Torr of Ne and 0.8 Torr of ND 3. The (0, 0) and (1, 1) bands belonging to the A 2 Π − X 2 Σ + system were recorded with an instrumental resolution of 0.03 cm − 1. In total, almost 500 rotational frequencies were measured with an absolute accuracy of about 0.005 cm − 1. It improved the experimental accuracy of the determined frequencies by the factor 10 compared to the previous work [J Phys B: Mol Phys 1984;17:L861-L866]. The rotational analysis has shown irregularities in the Λ − doubling splitting of the A2Π v = 0 , 1. Consequently, the A2Π state has been represented by the rotational term values, while the regular X 2 Σ + state by the molecular constants. The causes of the irregularities were identified in the interaction between the A2Π and the B 2 Σ + states, which lies about 3720 cm − 1 above. Supporting ab initio quantum chemical calculations, including spin-orbit effects, reproduce the observed spectroscopic constants including the small energy splittings due to spin-rotation interactions (for 2 Σ + states) and Λ − doubling. [ABSTRACT FROM AUTHOR]
- Published
- 2018
- Full Text
- View/download PDF