Resonant Inelastic X-Ray Scattering Reveals Hidden Local Transitions of the Aqueous OH Radical

L Kjellsson; K D Nanda; J-E Rubensson; G Doumy; S H Southworth; P J Ho; A M March; A Al Haddad; Y Kumagai; M-F Tu; R D Schaller; T Debnath; M S Bin Mohd Yusof; C Arnold; W F Schlotter; S Moeller; G Coslovich; J D Koralek; M P Minitti; Marta Lopez Vidal; M Simon; R Santra; Z-H Loh; Sonia Coriani; A I Krylov; L Young

doi:10.1103/PhysRevLett.124.236001

Resonant Inelastic X-Ray Scattering Reveals Hidden Local Transitions of the Aqueous OH Radical

L Kjellsson, K D Nanda, J-E Rubensson, G Doumy, S H Southworth, P J Ho, A M March, A Al Haddad, Y Kumagai, M-F Tu, R D Schaller, T Debnath, M S Bin Mohd Yusof, C Arnold, W F Schlotter, S Moeller, G Coslovich, J D Koralek, M P Minitti, Marta Lopez VidalM Simon, R Santra, Z-H Loh, Sonia Coriani, A I Krylov, L Young

Department of Chemistry

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Abstract

Resonant inelastic x-ray scattering (RIXS) provides remarkable opportunities to interrogate ultrafast dynamics in liquids. Here we use RIXS to study the fundamentally and practically important hydroxyl radical in liquid water, OH(aq). Impulsive ionization of pure liquid water produced a short-lived population of OH(aq), which was probed using femtosecond x-rays from an x-ray free-electron laser. We find that RIXS reveals localized electronic transitions that are masked in the ultraviolet absorption spectrum by strong charge-transfer transitions-thus providing a means to investigate the evolving electronic structure and reactivity of the hydroxyl radical in aqueous and heterogeneous environments. First-principles calculations provide interpretation of the main spectral features.

Original language	English
Article number	236001
Journal	Physical Review Letters
Volume	124
Issue number	23
Number of pages	7
ISSN	0031-9007
DOIs	https://doi.org/10.1103/PhysRevLett.124.236001
Publication status	Published - 2020

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Kjellsson, L., Nanda, K. D., Rubensson, J-E., Doumy, G., Southworth, S. H., Ho, P. J., March, A. M., Al Haddad, A., Kumagai, Y., Tu, M-F., Schaller, R. D., Debnath, T., Bin Mohd Yusof, M. S., Arnold, C., Schlotter, W. F., Moeller, S., Coslovich, G., Koralek, J. D., Minitti, M. P., ... Young, L. (2020). Resonant Inelastic X-Ray Scattering Reveals Hidden Local Transitions of the Aqueous OH Radical. Physical Review Letters, 124(23), [236001]. https://doi.org/10.1103/PhysRevLett.124.236001

Kjellsson, L ; Nanda, K D ; Rubensson, J-E ; Doumy, G ; Southworth, S H ; Ho, P J ; March, A M ; Al Haddad, A ; Kumagai, Y ; Tu, M-F ; Schaller, R D ; Debnath, T ; Bin Mohd Yusof, M S ; Arnold, C ; Schlotter, W F ; Moeller, S ; Coslovich, G ; Koralek, J D ; Minitti, M P ; Vidal, Marta Lopez ; Simon, M ; Santra, R ; Loh, Z-H ; Coriani, Sonia ; Krylov, A I ; Young, L. / Resonant Inelastic X-Ray Scattering Reveals Hidden Local Transitions of the Aqueous OH Radical. In: Physical Review Letters. 2020 ; Vol. 124, No. 23.

@article{ae9bd6c2142248e08894abf55354e198,

title = "Resonant Inelastic X-Ray Scattering Reveals Hidden Local Transitions of the Aqueous OH Radical",

abstract = "Resonant inelastic x-ray scattering (RIXS) provides remarkable opportunities to interrogate ultrafast dynamics in liquids. Here we use RIXS to study the fundamentally and practically important hydroxyl radical in liquid water, OH(aq). Impulsive ionization of pure liquid water produced a short-lived population of OH(aq), which was probed using femtosecond x-rays from an x-ray free-electron laser. We find that RIXS reveals localized electronic transitions that are masked in the ultraviolet absorption spectrum by strong charge-transfer transitions-thus providing a means to investigate the evolving electronic structure and reactivity of the hydroxyl radical in aqueous and heterogeneous environments. First-principles calculations provide interpretation of the main spectral features.",

author = "L Kjellsson and Nanda, {K D} and J-E Rubensson and G Doumy and Southworth, {S H} and Ho, {P J} and March, {A M} and {Al Haddad}, A and Y Kumagai and M-F Tu and Schaller, {R D} and T Debnath and {Bin Mohd Yusof}, {M S} and C Arnold and Schlotter, {W F} and S Moeller and G Coslovich and Koralek, {J D} and Minitti, {M P} and Vidal, {Marta Lopez} and M Simon and R Santra and Z-H Loh and Sonia Coriani and Krylov, {A I} and L Young",

year = "2020",

doi = "10.1103/PhysRevLett.124.236001",

language = "English",

volume = "124",

journal = "Physical Review Letters",

issn = "0031-9007",

publisher = "American Physical Society",

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Kjellsson, L, Nanda, KD, Rubensson, J-E, Doumy, G, Southworth, SH, Ho, PJ, March, AM, Al Haddad, A, Kumagai, Y, Tu, M-F, Schaller, RD, Debnath, T, Bin Mohd Yusof, MS, Arnold, C, Schlotter, WF, Moeller, S, Coslovich, G, Koralek, JD, Minitti, MP, Vidal, ML, Simon, M, Santra, R, Loh, Z-H, Coriani, S, Krylov, AI & Young, L 2020, 'Resonant Inelastic X-Ray Scattering Reveals Hidden Local Transitions of the Aqueous OH Radical', Physical Review Letters, vol. 124, no. 23, 236001. https://doi.org/10.1103/PhysRevLett.124.236001

Resonant Inelastic X-Ray Scattering Reveals Hidden Local Transitions of the Aqueous OH Radical. / Kjellsson, L; Nanda, K D; Rubensson, J-E; Doumy, G; Southworth, S H; Ho, P J; March, A M; Al Haddad, A; Kumagai, Y; Tu, M-F; Schaller, R D; Debnath, T; Bin Mohd Yusof, M S; Arnold, C; Schlotter, W F; Moeller, S; Coslovich, G; Koralek, J D; Minitti, M P; Vidal, Marta Lopez; Simon, M; Santra, R; Loh, Z-H; Coriani, Sonia; Krylov, A I; Young, L.

In: Physical Review Letters, Vol. 124, No. 23, 236001, 2020.

Research output: Contribution to journal › Journal article › peer-review

TY - JOUR

T1 - Resonant Inelastic X-Ray Scattering Reveals Hidden Local Transitions of the Aqueous OH Radical

AU - Kjellsson, L

AU - Nanda, K D

AU - Rubensson, J-E

AU - Doumy, G

AU - Southworth, S H

AU - Ho, P J

AU - March, A M

AU - Al Haddad, A

AU - Kumagai, Y

AU - Tu, M-F

AU - Schaller, R D

AU - Debnath, T

AU - Bin Mohd Yusof, M S

AU - Arnold, C

AU - Schlotter, W F

AU - Moeller, S

AU - Coslovich, G

AU - Koralek, J D

AU - Minitti, M P

AU - Vidal, Marta Lopez

AU - Simon, M

AU - Santra, R

AU - Loh, Z-H

AU - Coriani, Sonia

AU - Krylov, A I

AU - Young, L

PY - 2020

Y1 - 2020

N2 - Resonant inelastic x-ray scattering (RIXS) provides remarkable opportunities to interrogate ultrafast dynamics in liquids. Here we use RIXS to study the fundamentally and practically important hydroxyl radical in liquid water, OH(aq). Impulsive ionization of pure liquid water produced a short-lived population of OH(aq), which was probed using femtosecond x-rays from an x-ray free-electron laser. We find that RIXS reveals localized electronic transitions that are masked in the ultraviolet absorption spectrum by strong charge-transfer transitions-thus providing a means to investigate the evolving electronic structure and reactivity of the hydroxyl radical in aqueous and heterogeneous environments. First-principles calculations provide interpretation of the main spectral features.

AB - Resonant inelastic x-ray scattering (RIXS) provides remarkable opportunities to interrogate ultrafast dynamics in liquids. Here we use RIXS to study the fundamentally and practically important hydroxyl radical in liquid water, OH(aq). Impulsive ionization of pure liquid water produced a short-lived population of OH(aq), which was probed using femtosecond x-rays from an x-ray free-electron laser. We find that RIXS reveals localized electronic transitions that are masked in the ultraviolet absorption spectrum by strong charge-transfer transitions-thus providing a means to investigate the evolving electronic structure and reactivity of the hydroxyl radical in aqueous and heterogeneous environments. First-principles calculations provide interpretation of the main spectral features.

U2 - 10.1103/PhysRevLett.124.236001

DO - 10.1103/PhysRevLett.124.236001

M3 - Journal article

C2 - 32603165

VL - 124

JO - Physical Review Letters

JF - Physical Review Letters

SN - 0031-9007

IS - 23

M1 - 236001

ER -

Resonant Inelastic X-Ray Scattering Reveals Hidden Local Transitions of the Aqueous OH Radical

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