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Water activation and splitting by single anionic iridium atoms

Zhu, Zhaoguo and Liu, Gaoxiang and Ciborowski, Sandra M. and Cao, Yulu and Harris, Rachel M. and Bowen, Kit H. (2022) Water activation and splitting by single anionic iridium atoms. Journal of Chemical Physics, 157 (23). Art. No. 234304. ISSN 0021-9606. doi:10.1063/5.0130277.

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Mass spectrometric analysis of anionic products that result from interacting Ir− with H2O shows the efficient generation of [Ir(H₂O)]⁻ complexes and IrO⁻ molecular anions. Anion photoelectron spectra of [Ir(H₂O)]⁻, formed under various source conditions, exhibit spectral features that are due to three different forms of the complex: the solvated anion–molecule complex, Ir⁻(H₂O), as well as the intermediates, [H–Ir–OH]⁻ and [H₂–Ir–O]⁻, where one and two O–H bonds have been broken, respectively. The measured and calculated vertical detachment energy values are in good agreement and, thus, support identification of all three types of isomers. The calculated reaction pathway shows that the overall reaction Ir⁻ + H₂O → IrO⁻ + H₂ is exothermic. Two minimum energy crossing points were found, which shuttle intermediates and products between singlet and triplet potential surfaces. This study presents the first example of water activation and splitting by single Ir⁻ anions.

Item Type:Article
Related URLs:
URLURL TypeDescription
Zhu, Zhaoguo0000-0002-4395-9102
Liu, Gaoxiang0000-0002-1001-0064
Ciborowski, Sandra M.0000-0001-9453-4764
Harris, Rachel M.0000-0002-3585-5258
Bowen, Kit H.0000-0002-2858-6352
Additional Information:This material is based on the work supported by the Air Force Office of Scientific Research (AFOSR) under Grant No. FA9550-22-1-0271 (K.H.B.).
Funding AgencyGrant Number
Air Force Office of Scientific Research (AFOSR)FA9550-22-1-0271
Issue or Number:23
Record Number:CaltechAUTHORS:20230124-11595100.3
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:118912
Deposited By: Research Services Depository
Deposited On:17 Feb 2023 03:07
Last Modified:17 Feb 2023 03:07

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