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Filming ultrafast roaming-mediated isomerization of bismuth triiodide in solution

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Title
Filming ultrafast roaming-mediated isomerization of bismuth triiodide in solution
Author(s)
Eun Hyuk Choi; Jong Goo Kim; Jungmin Kim; Hosung Ki; Yunbeom Lee; Seonggon Lee; Yoon, Kihwan; Kim, Joonghan; Kim, Jeongho; Hyotcherl Ihee
Publication Date
2021-12
Journal
NATURE COMMUNICATIONS, v.12, no.1
Publisher
Nature Research
Abstract
© 2021, The Author(s).Roaming reaction, defined as a reaction yielding products via reorientational motion in the long-range region (3 – 8 Å) of the potential, is a relatively recently proposed reaction pathway and is now regarded as a universal mechanism that can explain the unimolecular dissociation and isomerization of various molecules. The structural movements of the partially dissociated fragments originating from the frustrated bond fission at the onset of roaming, however, have been explored mostly via theoretical simulations and rarely observed experimentally. Here, we report an investigation of the structural dynamics during a roaming-mediated isomerization reaction of bismuth triiodide (BiI3) in acetonitrile solution using femtosecond time-resolved x-ray liquidography. Structural analysis of the data visualizes the atomic movements during the roaming-mediated isomerization process including the opening of the Bi-Ib-Ic angle and the closing of Ia-Bi-Ib-Ic dihedral angle, each by ~40°, as well as the shortening of the Ib···Ic distance, following the frustrated bond fission.
URI
https://pr.ibs.re.kr/handle/8788114/10179
DOI
10.1038/s41467-021-25070-z
ISSN
2041-1723
Appears in Collections:
Center for Nanomaterials and Chemical Reactions(나노물질 및 화학반응 연구단) > 1. Journal Papers (저널논문)
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