3.1 Dynamics of Condensed Phase Molecular Systems

Project coordinators: E. T. J. Nibbering, O. Kornilov

Publications

2022

C1-P-2022.01
Electronic structure changes of an aromatic amine photoacid along the Förster cycle

S. Eckert, M.-O. Winghart, C. Kleine, A. Banerjee, M. Ekimova, J. Ludwig, J. Harich, M. Fondell, R. Mitzner, E. Pines, N. Huse, P. Wernet, M. Odelius, E. T. J. Nibbering

Angewandte Chemie-International Edition 61 (2022) e202200709/1-7

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A2-P-2022.02
Spectral synthesis of multimode lasers to the Fourier limit in integrated Fabry–Perot diamond resonators

E. Granados, C. Granados, R. Ahmed, K. Chrysalidis, V. N. Fedosseev, B. A. Marsh, S. G. Wilkins, R. P. Mildren, D. J. Spence

Optica 9 (2022) 317-324

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A2-P-2022.04
Tunable spectral squeezers based on monolithically integrated diamond Raman resonators

E. Granados, G. Stoikos, D. T. Echarri, K. Chrysalidis, V. N. Fedosseev, C. Granados, V. Leask, B. A. Marsh, R. P. Mildren

Applied Physics Letters 120 (2022) 151101/1-6

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C1-P-2022.02
Ultrafast Vibrational Response of Activated C–D Bonds in a Chloroform–Platinum(II) Complex

J. Zhang, A. Kundu, T. Elsaesser, P. Macchi, M. Kalter, G. Eickerling, W. Scherer

Journal of Physical Chemistry Letters 13 (2022) 4447-4454

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C1-P-2022.03
Änderungen der elektronischen Struktur einer Amino-Photosäure entlang des Förster Zyklus

S. Eckert, M.-O. Winghart, C. Kleine, A. Banerjee, M. Ekimova, J. Ludwig, J. Harich, M. Fondell, R. Mitzner, E. Pines, N. Huse, P. Wernet, M. Odelius, E. T. J. Nibbering

Angew. Chemie 134 (2022) e202200709/1-8

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C1-P-2022.05
Ultrafast charge relocation dynamics in enol−keto tautomerization monitored with a local soft-X-ray probe

M. B. Soley, P. E. Videla, E. T. J. Nibbering, V. S. Batista

Journal of Physical Chemistry Letters 13 (2022) 8254-8263

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2021

A2-P-2020.09
Electronic relaxation of aqueous aminoazobenzenes studied by time-resolved photoelectron spectroscopy and surface hopping TDDFT dynamics calculations

E. Titov, H. Hummert, E. Ikonnikov, R. Mitric, O. Kornilov

Faraday Discussions 228 (2021) 226-241

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C1-P-2021.01
Phosphate vibrations probe electric fields in hydrated biomolecules: spectroscopy, dynamics, and interactions

T. Elsaesser, J. Schauss, A. Kundu, B. P. Fingerhut

Journal of Physical Chemistry B 125 (2021) 3899-3908

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C1-P-2021.02
Highly efficient soft x-ray spectrometer for transient absorption spectroscopy with broadband table-top high harmonic sources

C. Kleine, M. Ekimova, M.-O. Winghart, S. Eckert, O. Reichel, H. Löchel, J. Probst, C. Braig, C. Seifert, A. Erko, A. Sokolov, M. J. J. Vrakking, E. T. J. Nibbering, A. Rouzée

Structural Dynamics 8 (2021) 034302/1-6

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C1-P-2021.03
Contact pairs of RNA with magnesium ions-electrostatics beyond the Poisson-Boltzmann equation

B. P. Fingerhut, J. Schauss, A. Kundu, T. Elsaesser

Biophysical Journal 120 (2021) 5322–5332

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C1-P-2020.03
Shot noise limited soft x-ray absorption spectroscopy in solution at a SASE-FEL using a transmission grating beam splitter

R. Y. Engel, M. Ekimova, P. S. Miedema, C. Kleine, J. Ludwig, M. Ochmann, B. Grimm-Lebsanft, R. Ma, M. Teubner, S. Dziarzhytski, G. Brenner, M.-K. Czwalinna, B. Rösner, T. Kyu Kim, C. David, S. Herres-Pawlis, M. Rübhausen, E. T. J. Nibbering, N. Huse, M. Beye

Structural Dynamics 8 (2021) 014303 /1-10

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C1-P-2020.04
Magnesium contact ions stabilize the tertiary structure of transfer RNA: electrostatics mapped by two-dimensional infrared spectra and theoretical simulations

J. Schauss, A. Kundu, B. P. Fingerhut, T. Elsaesser

Journal of Physical Chemistry B 125 (2021) 740-747

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C1-P-2020.05
Switching between proton vacancy and excess proton transfer pathways in the reaction between 7-hydroxyquinoline and formate

M.-A. Codescu, M. Weiß, M. Brehm, O. Kornilov, D. Sebastiani, E. T. J. Nibbering

Journal of Physical Chemistry A 125 (2021) 1845–1859

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A2-P-2021.03
Time-resolved ultrafast spectroscopy: general discussion

M. Ashfold, M. Chergui, I. Fischer, L. Ge, G. Grell, M. Y. Ivanov, A. Kirrander, O. Kornilov, S. R. Krishnan, J. Küpper, C. Kuttner, V. Makhija, F. Martín, S. Matsika, R. S. Minns, A. Natan, D. M. Neumark, A. Palacios, S. Pratt, A. Röder, J. M. Rost, M. Ruberti, A. Stolow, E. Titov, L. Young

Faraday Discussions 228 (2021) 329-348

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2020

C1-P-2020.06
Impact of RNA melting on hydrating water structure mapped by femtosecond 2D-IR spectroscopy

B. P. Fingerhut, A. Kundu, J. Schauss, T. Elsaesser

The 22nd International Conference on Ultrafast Phenomena 2020 OSA Publishing (2020) doi.org/10.1364/UP.2020.M2A.1

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C1-P-2020.07
Structural discrimination of phosphate contact ion pairs in water by femtosecond 2D-IR spectroscopy

A. Kundu, J. Schauss, B. P. Fingerhut, T. Elsaesser

The 22nd International Conference on Ultrafast Phenomena 2020 OSA Publishing (2020) doi.org/10.1364/UP.2020.M4B.9

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T4-P-2020.05
Oscillatory dynamics of the spin-Boson model with ultrastrong interactions with the environment

A. Acharyya, M. Richter, B. P. Fingerhut

The 22nd International Conference on Ultrafast Phenomena 2020 OSA Publishing (2020) doi.org/10.1364/UP.2020.Tu4A.35

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C1-P-2020.08
Switching between ultrafast proton vacancy and excess proton transfer along a methanol solvent bridge

M.-A. Codescu, O. Kornilov, E. T. J. Nibbering

The 22nd International Conference on Ultrafast Phenomena 2020 OSA Publishing (2020) doi.org/10.1364/UP.2020.M4B.13

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C1-P-2020.09
Deciphering photoacidity by following electronic charge distribution changes along the photoacid Förster cycle with time-resolved nitrogen K-edge x-ray absorption spectroscopy

S. Eckert, M.-O. Winghart, C. Kleine, A. Banerjee, M. Ekimova, J. Ludwig, J. Harich, R. Mitzner, D. Aminov, D. Pines, E. Pines, N. Huse, P. Wernet, M. Odelius, E. T. J. Nibbering

The 22nd International Conference on Ultrafast Phenomena 2020 OSA Publishing (2020) doi.org/10.1364/UP.2020.Tu2A.6

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C1-P-2019.08
Aqueous contact ion pairs of phosphate groups with Na+, Ca2+ and Mg2+ - structural discrimination by femtosecond infrared spectroscopy and molecular dynamics simulations

B. P. Fingerhut, J. Schauss, A. Kundu, T. Elsaesser

Zeitschrift für Physikalische Chemie 234 (2020) 1453-1474

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