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Updated: May 16, 2025

Photoelectron Imaging of Anions Illustrated by 310 Nm Detachment of F−
Published on: July 27, 2018
Vibrationally Resolved Photoelectron Spectroscopy and Quantum Chemical Calculations of InC- (n = 3-10) Clusters
Zhao-Ou Gao1,2, Zhen-Chao Long1,2, Hong-Guang Xu1,2
1Beijing National Laboratory for Molecular Sciences (BNLMS), State Key Laboratory of Molecular Reaction Dynamics, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China.
Abstract:
The vibrationally resolved photoelectron spectra of InC- (n = 3-10) clusters were measured using size-selected anion photoelectron spectroscopy. The structures of InC-/0 (n = 3-10) clusters were investigated through quantum chemical calculations. A pronounced odd-even alternation in vertical detachment energies (VDEs) of InC- (n = 3-10) is observed as the carbon chain length increases. The InC- (n = 4, 6, 8, and 10) anions exhibit higher VDEs than their adjacent anions with odd carbon numbers. The most stable structures of InC- and InC (n = 3-10) adopt C∞v symmetric linear structures with the indium atom located at the end of the carbon chain, except for InC10. InC10 exhibits a C10 ring structure with the indium atom bonding externally to one carbon atom, which is slightly more stable than the linear structure. Bonding analysis reveals the monovalent nature of the indium atom and the covalent character of the In-C bond. Finally, the limitations of the CCSD(T) method in achieving high-accuracy calculations for this system are discussed.
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