Solvent rearrangement for an excited electron of the iodide-water pentamer
SCIE
SCOPUS
- Title
- Solvent rearrangement for an excited electron of the iodide-water pentamer
- Authors
- Lee, HM; Kim, KS
- Date Issued
- 2004-12-10
- Publisher
- TAYLOR & FRANCIS LTD
- Abstract
- We have investigated the solvent rearrangement process for the excited electron in the iodide-water pentamer using density functional and ab initio calculations. Upon excitation of the iodide-water pentamer, an electron transfers from the iodide anion to the water cluster, resulting in release of the iodine atom and formation of the anionic water pentamer undergoing rearrangement process toward the most stable conformation. Thus, the transformation pathway is elucidated.
- Keywords
- IONIC HYDROGEN-BOND; SIZE-SELECTED WATER; AB-INITIO; PHOTOELECTRON-SPECTROSCOPY; HYDRATED ELECTRON; CHARGE-TRANSFER; INFRARED-SPECTROSCOPY; VIBRATIONAL-SPECTRA; EXCITATION-ENERGIES; GAS-PHASE
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/24861
- DOI
- 10.1080/002689704200
- ISSN
- 0026-8976
- Article Type
- Article
- Citation
- MOLECULAR PHYSICS, vol. 102, no. 23-24, page. 2485 - 2489, 2004-12-10
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- There are no files associated with this item.
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