Symmetry Breaking in the Lowest-Lying Excited-State of CCl4: Valence Shell Spectroscopy in the 5.0–10.8 eV Photon Energy Range
Luiz V. S. Dalagnol, Sarvesh Kumar, Alessandra S. Barbosa, Umma S. Akther, Nykola C. Jones, Søren V. Hoffmann, Márcio H. F. Bettega, Paulo Limão-Vieira · 2024
Read Symmetry Breaking in the Lowest-Lying Excited-State of CCl4: Valence Shell Spectroscopy in the 5.0–10.8 eV Photon Energy Range by Luiz V. S. Dalagnol, Sarvesh Kumar, Alessandra S. Barbosa, Umma S. Akther, Nykola C. Jones, Søren V. Hoffmann, Márcio H. F. Bettega, Paulo Limão-Vieira (2024) in the Tower of Babel, a free online library of public-domain works preserved in clean, searchable text. No sign-up. The full text is served as a plain-text file at a predictable URL, where text is present: https://antarctic-labs.com/tower-of-babel/pmc-11643474.txt.
Description
Luiz Dalagnol and seven co-authors measure how carbon tetrachloride takes in ultraviolet light at high resolution, in a study from twenty twenty-four. Their cross sections span photon energies from five to nearly eleven electronvolts. Quantum calculations gave shapes, excitation energies, and transition strengths. The team also decoded the excited states of the molecule.
The main excitations were linked to valence and Rydberg transitions. Vibrations in two degenerate modes came with them. The team used time-dependent density functional theory to trace the complex motion along one deformation mode. A Jahn-Teller distortion in the lowest excited state was shown for the first time. It explains a weak absorption feature near six electronvolts. Stretching curves also showed that carbon-chlorine bonds break readily.
Catalog record
| CREATOR | Luiz V. S. Dalagnol, Sarvesh Kumar, Alessandra S. Barbosa, Umma S. Akther, Nykola C. Jones, Søren V. Hoffmann, Márcio H. F. Bettega, Paulo Limão-Vieira |
|---|---|
| YEAR | 2024 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 28 KB |
| VERSION | 1.0 |
| LICENSE | CC BY 4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |