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Structural Dynamics of Bismuth Triiodide in Solution Triggered by Photoinduced Ligand-to-Metal Charge Transfer

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dc.contributor.authorEun Hyuk Choi-
dc.contributor.authorDoo-Sik Ahn-
dc.contributor.authorSungjun Park-
dc.contributor.authorChangwon Kim-
dc.contributor.authorChi Woo Ahn-
dc.contributor.authorSiin Kim-
dc.contributor.authorMinseo Choi-
dc.contributor.authorCheolhee Yang-
dc.contributor.authorTae Wu Kim-
dc.contributor.authorHosung Ki-
dc.contributor.authorJungkweon Choi-
dc.contributor.authorMartin Nors Pedersen-
dc.contributor.authorMichael Wulff-
dc.contributor.authorJeongho Kim-
dc.contributor.authorHyotcherl Ihee-
dc.date.available2019-07-19T05:38:56Z-
dc.date.created2019-04-23-
dc.date.issued2019-03-
dc.identifier.issn1948-7185-
dc.identifier.urihttps://pr.ibs.re.kr/handle/8788114/5888-
dc.description.abstractBismuth triiodide, BiI 3 , is one of the simplest bismuth halides, which have recently attracted considerable attention because of their promising properties. Here, we investigate the structural dynamics of a photoinduced reaction of BiI 3 in solution phase using time-resolved X-ray liquidography (TRXL) and density functional theory (DFT) and time-dependent DFT (TDDFT) calculations. The photoreaction was initiated by excitation at 400 nm, which corresponds to the ligand-to-metal charge-transfer transition. The detailed structures and kinetic profiles of all relevant intermediate species from the TRXL data show that the trigonal planar structure of BiI 3 , which is predicted to be the most stable structure of the lowest excited state by TDDFT calculation, was not observed, and the photoreaction proceeds via two parallel pathways within the time resolution of 100 ps: (i) isomer formation to produce iso-BiI 2 -I, which relaxes back to the ground-state structure, and (ii) dissociation into BiI 2 · and I· radicals, which nongeminately recombine to generate ground-state BiI 3 and I 2 . © 2019 American Chemical Society-
dc.description.uri1-
dc.language영어-
dc.publisherAMER CHEMICAL SOC-
dc.titleStructural Dynamics of Bismuth Triiodide in Solution Triggered by Photoinduced Ligand-to-Metal Charge Transfer-
dc.typeArticle-
dc.type.rimsART-
dc.identifier.wosid000463678800018-
dc.identifier.scopusid2-s2.0-85062892061-
dc.identifier.rimsid67924-
dc.contributor.affiliatedAuthorEun Hyuk Choi-
dc.contributor.affiliatedAuthorDoo-Sik Ahn-
dc.contributor.affiliatedAuthorSungjun Park-
dc.contributor.affiliatedAuthorChangwon Kim-
dc.contributor.affiliatedAuthorChi Woo Ahn-
dc.contributor.affiliatedAuthorSiin Kim-
dc.contributor.affiliatedAuthorMinseo Choi-
dc.contributor.affiliatedAuthorCheolhee Yang-
dc.contributor.affiliatedAuthorTae Wu Kim-
dc.contributor.affiliatedAuthorHosung Ki-
dc.contributor.affiliatedAuthorJungkweon Choi-
dc.contributor.affiliatedAuthorHyotcherl Ihee-
dc.identifier.doi10.1021/acs.jpclett.9b00365-
dc.identifier.bibliographicCitationJOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.10, no.6, pp.1279 - 1285-
dc.citation.titleJOURNAL OF PHYSICAL CHEMISTRY LETTERS-
dc.citation.volume10-
dc.citation.number6-
dc.citation.startPage1279-
dc.citation.endPage1285-
dc.description.journalClass1-
dc.description.journalRegisteredClassscie-
dc.description.journalRegisteredClassscopus-
Appears in Collections:
Center for Nanomaterials and Chemical Reactions(나노물질 및 화학반응 연구단) > 1. Journal Papers (저널논문)
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J. Phys. Chem. Lett. 2019, 10, 1279−1285.pdfDownload

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