Probing ultrafast ππ*/nπ* internal conversion in organic chromophores via K-edge resonant absorption

Wolf, T. J. A.; Myhre, R. H.; Cryan, J. P.; Coriani, S.; Squibb, R. J.; Battistoni, A.; Berrah, N.; Bostedt, C.; Bucksbaum, P.; Coslovich, G.; Feifel, R.; Gaffney, K. J.; Grilj, J.; Martinez, T. J.; Miyabe, S.; Moeller, S. P.; Mucke, M.; Natan, A.; Obaid, R.; Osipov, T.; Plekan, O.; Wang, S.; Koch, Henrik; Guhr, M.

doi:10.1038/s41467-017-00069-7

Title: Probing ultrafast ππ/nπ internal conversion in organic chromophores via K-edge resonant absorption

Journal Article · Thu Jun 22 00:00:00 EDT 2017 · Nature Communications

DOI:https://doi.org/10.1038/s41467-017-00069-7· OSTI ID:1369334

^[1]; Myhre, R. H. ^[2]; Cryan, J. P. ^[1]; Coriani, S. ^[3]; Squibb, R. J. ^[4]; Battistoni, A. ^[1]; Berrah, N. ^[5]; Bostedt, C. ^[6]; Bucksbaum, P. ^[7]; Coslovich, G. ^[1]; Feifel, R. ^[4]; Gaffney, K. J. ^[1]; Grilj, J. ^[8];

^[7]; Miyabe, S. ^[9]; Moeller, S. P. ^[1]; Mucke, M. ^[10];

^[1]; Obaid, R. ^[5]; Osipov, T. ^[1] more »

SLAC National Accelerator Lab., Menlo Park, CA (United States)
SLAC National Accelerator Lab., Menlo Park, CA (United States); Norwegian Univ. of Science and Technology, Trondheim (Norway)
Univ. degli Studi di Trieste, Trieste (Italy); Technical Univ. of Denmark, Lyngby (Denmark)
Univ. of Gothenburg, Gothenburg (Sweden)
Univ. of Connecticut, Storrs, CT (United States)
SLAC National Accelerator Lab., Menlo Park, CA (United States); Argonne National Lab. (ANL), Lemont, IL (United States); Northwestern Univ., Evanston, IL (United States)
SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., Stanford, CA (United States)
Ecole Polytechnique Federal de Lausanne, Lausanne (Switzerland)
SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., Stanford, CA (United States); RIKEN, Saitama (Japan)
Uppsala Univ., Uppsala (Sweden)
Elettra-Sincrotrone Trieste, Trieste (Italy)
SLAC National Accelerator Lab., Menlo Park, CA (United States); Univ. Potsdam, Potsdam (Germany)

Many photoinduced processes including photosynthesis and human vision happen in organic molecules and involve coupled femtosecond dynamics of nuclei and electrons. Organic molecules with heteroatoms often possess an important excited-state relaxation channel from an optically allowed ππ* to a dark nπ* state. The ππ*/nπ* internal conversion is difficult to investigate, as most spectroscopic methods are not exclusively sensitive to changes in the excited-state electronic structure. Here, we report achieving the required sensitivity by exploiting the element and site specificity of near-edge soft X-ray absorption spectroscopy. As a hole forms in the n orbital during ππ*/nπ* internal conversion, the absorption spectrum at the heteroatom K-edge exhibits an additional resonance. We demonstrate the concept using the nucleobase thymine at the oxygen K-edge, and unambiguously show that ππ*/nπ* internal conversion takes place within (60 ± 30) fs. Furthermore, high-level-coupled cluster calculations confirm the method’s impressive electronic structure sensitivity for excited-state investigations.

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Research Organization:: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC02-76SF00515

OSTI ID:: 1369334

Journal Information:: Nature Communications, Vol. 8, Issue 1; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 122 works

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Title: Probing ultrafast ππ*/nπ* internal conversion in organic chromophores via K-edge resonant absorption

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Title: Probing ultrafast ππ/nπ internal conversion in organic chromophores via K-edge resonant absorption