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Electronic Structure and Spectroscopy of CuBe

Year: 2025
Type: article
Abstract: High Resolution Image Download MS PowerPoint Slide Electronic spectra for CuBe were recorded using resonantly enhanced one-color, two-photon ionization techniques. Several vibronic progressions were observed, permitting characterization of the 4 2 Σ +, 5 2 Σ +, 3 2 Π and 4 2 Π excited states. Rotational resolution was achieved for a few bands, permitting determination of the ground state rotational constant. Attempts to record laser-induced fluorescence or two-color ionization spectra were unsuccessful. This was attributed to predissociation of the excited states. Density functional theory and ab initio electronic structure calculations were used to facilitate assignment of the observed states. Potential energy curves obtained from these calculations indicated that states arising from the Cu(3d 9 4s 2 ) + Be(2s 2 ) dissociation asymptote were well-positioned to cause predissociation of the observed states.
Institution: Emory University
Language: English
Subfield: Spectroscopy
Field: Chemistry
Open Access status: hybrid
OpenAlex ID: W4407510068
FWCI: 0.246
Cites: 32
Cited by: 1
Related to: 10