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Exploring direct photodetachment and photodissociation–photodetachment dynamics of platinum iodide anions (PtIn-, n = 2–5) using cryogenic photoelectron spectroscopy

Journal Article · · Journal of Chemical Physics
DOI:https://doi.org/10.1063/5.0238466· OSTI ID:2560363
 [1];  [2];  [1];  [1];  [1];  [1];  [1];  [1];  [3];  [4];  [1]
  1. East China Normal Univ. (ECNU), Shanghai (China)
  2. Donghua University, Shanghai (United States)
  3. Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
  4. East China Normal Univ. (ECNU), Shanghai (China); Shanxi Univ., Taiyuan (China)
+ Show Author Affiliations
The direct photodetachment and two-photon photodissociation–photodetachment processes of a series of PtIn- (n = 2–5) anions were systematically studied using cryogenic anion photoelectron spectroscopy and first-principles electronic structure calculations. The adiabatic/vertical detachment energies (ADEs/VDEs) of these anions were determined from their 193 nm photoelectron (PE) spectra, i.e., 3.54/3.63, 4.04/4.09, 4.33/4.36, and 4.37/4.41 eV for n = 2–5, respectively, and well reproduced by B3LYP-D3(BJ)/aug-cc-pVTZ-pp calculations. As the coordination number increases, the electron affinity (EA) of PtIn• (n = 2–5) neutrals (equivalent to the corresponding anion’s ADE) gradually increases, exceeding the EA of Cl at n = 3 and exhibiting superhalogen characteristics for n ≥ 3. Meanwhile, the ground state transition contributed from detaching electrons in the highest occupied molecular orbital gradually evolves from the central metal Pt to the iodine ligands. For the PtI3- anion, besides one-photon direct detachment, four distinct two-photon photodissociation–photodetachment channels were identified, and the competition between them was discussed.
Research Organization:
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)
Grant/Contract Number:
AC05-76RL01830
OSTI ID:
2560363
Report Number(s):
PNNL-SA--204825
Journal Information:
Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 21 Vol. 161; ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)Copyright Statement
Country of Publication:
United States
Language:
English

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Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Absorption spectroscopy
Collision-induced dissociation
Correlation-consistent basis sets
Electronic structure methods
HOMO and LUMO
Koopmans' theorem
Photodissociation
Photoelectron spectroscopy
Vertical detachment energy
Zero point energy