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Ultrafast Electron Diffraction: Structural Dynamics of Molecular Rearrangement in the NO Release from Nitrobenzene

He, Yonggang and Gahlmann, Andreas and Feenstra, Jonathan S. and Park, Sang Tae and Zewail, Ahmed H. (2006) Ultrafast Electron Diffraction: Structural Dynamics of Molecular Rearrangement in the NO Release from Nitrobenzene. Chemistry – An Asian Journal, 1 (1-2). pp. 56-63. ISSN 1861-4728. https://resolver.caltech.edu/CaltechAUTHORS:20160822-130756950

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Abstract

Nitro compounds release NO, NO_2, and other species, but neither the structures during the reactions nor the time scales are known. Ultrafast electron diffraction (UED) allowed the study of the NO release from nitrobenzene, and the molecular pathways and the structures of the transient species were identified. It was observed, in contrast to previous inferences, that nitric oxide and phenoxyl radicals are formed dominantly and that the time scale of formation is 8.8±2.2 ps. The structure of the phenoxyl radical was determined for the first time, and found to be quinoid-like. The mechanism proposed involves a repulsive triplet state, following intramolecular rearrangement. This efficient generation of NO may have important implications for the control of by-products in drug delivery and other applications.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1002/asia.200600107DOIArticle
http://onlinelibrary.wiley.com/doi/10.1002/asia.200600107/abstractPublisherArticle
Additional Information:© 2006 Wiley-VCH Verlag GmbH & Co. Manuscript Received: 24 Mar 2006. Version of Record online: 3 Jul 2006.
Subject Keywords:electron diffraction; elimination; femtochemistry; nitro compounds; structural dynamics
Issue or Number:1-2
Record Number:CaltechAUTHORS:20160822-130756950
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20160822-130756950
Official Citation:He, Y., Gahlmann, A., Feenstra, Jonathan S., Park, S. and Zewail, Ahmed H. (2006), Ultrafast Electron Diffraction: Structural Dynamics of Molecular Rearrangement in the NO Release from Nitrobenzene. Chem. Asian J., 1: 56–63. doi: 10.1002/asia.200600107
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:69809
Collection:CaltechAUTHORS
Deposited By: Ruth Sustaita
Deposited On:22 Aug 2016 23:01
Last Modified:03 Oct 2019 10:25

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