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Updated: Aug 5, 2026

Photoelectron Imaging of Anions Illustrated by 310 Nm Detachment of F−
Published on: July 27, 2018
Anion Photoelectron Spectroscopy and Electronic Structure of UC2-/0
Burak A Tufekci1, Isuru R Ariyarathna2, Shiying Wang1
1Department of Chemistry, The Johns Hopkins University, Baltimore, Maryland21218, USA.
Anion photoelectron spectroscopy and electronic structure calculations reveal uranium dicarbide (UC2) and its anion (UC2-) adopt non-linear structures. This study confirms the predicted bent geometry for UC2.
Area of Science:
- Quantum Chemistry
- Spectroscopy
- Inorganic Chemistry
Background:
- Uranium dicarbide (UC2) is a molecule with potential applications in various fields.
- The ground-state structure of UC2 has been a subject of theoretical prediction and experimental investigation.
- Understanding the electronic and molecular structures of UC2 and its anion is crucial for predicting its chemical behavior.
Purpose of the Study:
- To investigate the molecular and electronic structures of anionic and neutral uranium dicarbide (UC2-/0).
- To determine the ground-state geometry of UC2 and its anion using a combined experimental-theoretical approach.
Main Methods:
- Anion photoelectron spectroscopy (aPES) was employed to study UC2-.
- Ab initio electronic structure calculations were performed to model UC2- and UC2.
- Franck-Condon simulations were used to interpret the experimental spectroscopic data.
Main Results:
- Both UC2- and UC2 were assigned non-linear U(CC) geometries.
- The experimental vertical detachment energy (VDE) of UC2- was measured as 1.58 ± 0.05 eV.
- Vibrational analysis supported the assignment of a U-C2 stretching mode in neutral UC2.
Conclusions:
- The study provides strong evidence for the long-predicted non-linear ground-state structure of UC2.
- The combined experimental and theoretical methods successfully elucidated the structures of UC2- and UC2.
- The findings contribute to a deeper understanding of uranium-containing molecular systems.
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