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Site-Specific Photo-oxidation of the Isolated Adenosine-5′-triphosphate Dianion Determined by Photoelectron Imaging

Castellani, Maria Elena; Avagliano, Davide; González, Leticia; Verlet, Jan R.R.

Site-Specific Photo-oxidation of the Isolated Adenosine-5′-triphosphate Dianion Determined by Photoelectron Imaging Thumbnail


Authors

Maria Elena Castellani

Davide Avagliano

Leticia González



Abstract

Photoelectron imaging of the isolated adenosine-5′-triphosphate dianion excited to the 1ππ* states reveals that electron emission is predominantly parallel to the polarization axis of the light and arises from subpicosecond electron tunneling through the repulsive Coulomb barrier (RCB). The computed RCB shows that the most probable electron emission site is on the amino group of adenine. This is consistent with the photoelectron imaging: excitation to the 1ππ* states leads to an aligned ensemble distributed predominantly parallel to the long axis of adenine; the subsequent electron tunneling site is along this axis; and the negatively charged phosphate groups guide the outgoing electron mostly along this axis at long range. Imaging of electron tunneling from polyanions combined with computational chemistry may offer a general route for probing the intrinsic photo-oxidation site and dynamics as well as the overall structure of complex isolated species.

Citation

Castellani, M. E., Avagliano, D., González, L., & Verlet, J. R. (2020). Site-Specific Photo-oxidation of the Isolated Adenosine-5′-triphosphate Dianion Determined by Photoelectron Imaging. Journal of Physical Chemistry Letters, 11(19), 8195-8201. https://doi.org/10.1021/acs.jpclett.0c02089

Journal Article Type Article
Acceptance Date Sep 4, 2020
Online Publication Date Sep 4, 2020
Publication Date Oct 1, 2020
Deposit Date May 6, 2021
Publicly Available Date Sep 4, 2021
Journal Journal of Physical Chemistry Letters
Electronic ISSN 1948-7185
Publisher American Chemical Society
Peer Reviewed Peer Reviewed
Volume 11
Issue 19
Pages 8195-8201
DOI https://doi.org/10.1021/acs.jpclett.0c02089

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Copyright Statement
This document is the Accepted Manuscript version of a Published Work that appeared in final form in The journal of physical chemistry letters., copyright © 2020 American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.jpclett.0c02089




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