3.1 Dynamics of Condensed Phase Molecular Systems

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

Topic 2: Publications (2003-now)

2023

C1-P-2022.14
Ultrafast proton transfer pathways mediated by amphoteric imidazole

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

Journal of Physical Chemistry Letters 14 (2023) 4775-4785

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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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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

Angewandte 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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C1-P-2022.07
From local covalent bonding to extended electric field interactions in proton hydration

M. Ekimova, C. Kleine, J. Ludwig, M. Ochmann, T. E. G. Agrenius, E. Kozari, D. Pines, E. Pines, N. Huse, Ph. Wernet, M. Odelius, E. T. J. Nibbering

Angewandte Chemie-International Edition 61 (2022) e202211066/1-9

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C1-P-2022.12
Ultrafast proton transfer pathways mediated by imidazole

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

Ultrafast Phenomena 2022 Optica Publishing Group (2022) Tu1A.4/1-2

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C1-P-2022.10
Ultrafast electronic structural dynamics of water-mediated photoacid-base proton transfer reactions

M.-O. Winghart, P. Han, Z.-Y. Zhang, R. Mitzner, M. Fondell, E. Pines, M. Odelius, P. Wernet, E. T. J. Nibbering

Ultrafast Phenomena 2022 Optica Publishing Group (2022) Th4A.6/1-2

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C1-P-2022.13
Von lokalen kovalenten Bindungen zu langreichweitigen elektrischen Wechselwirkungen der Protonenhydratation

M. Ekimova, C. Kleine, J. Ludwig, M. Ochmann, T. E. G. Agrenius, E. Kozari, D. Pines, E. Pines, N. Huse, Ph. Wernet, M. Odelius, E. T. J. Nibbering

Angewandte Chemie 134 (2022) e202211066/1-10

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2021

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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2020

C1-P-2020.02
Vibronic dynamics of photodissociating ICN from simulations of ultrafast X-ray absorption spectroscopy

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

Angewandte Chemie-International Edition 59 (2020) 20044–20048

URL, DOI or PDF

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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2019

C1-P-2018.09
Ultrafast proton transport in water-methanol mixtures

M. Ekimova, F. Hoffmann, G. Bekçioğlu-Neff, A. Rafferty, E. T. J. Nibbering, D. Sebastiani

Ultrafast Phenomena XXI 205 EPJ Web Conference (2019) 09004/1-3

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C1-P-2019.02
Ultrafast proton transport between a hydroxy acid and a nitrogen base along solvent bridges governed by hydroxide/methoxide transfer mechanism

M. Ekimova, F. Hoffmann, G. Bekçioğlu-Neff, A. Rafferty, O. Kornilov, E. T. J. Nibbering, D. Sebastiani

Journal of the American Chemical Society 141 (2019) 14581-14592

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2018

C1-P-2018.02
Cr L-edge X-ray absorption spectroscopy of CrIII(acac)3 in solution with measured and calculated absolute absorption cross sections

M. Kubin, M. Guo, M. Ekimova, E. Källman, J. Kern, V. K. Yachandra, J. Yano, E. T. J. Nibbering, M. Lundberg, P. Wernet

Journal of Physical Chemistry B 122 (2018) 7375–7384

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C1-P-2018.01
Direct determination of absolute absorption cross sections at the L-edge of dilute Mn complexes in solution using a transmission flatjet

M. Kubin, M. Guo, M. Ekimova, M. L. Baker, T. Kroll, E. Källman, J. Kern, V. K. Yachandra, J. Yano, E. T. J. Nibbering, M. Lundberg, P. Wernet

Inorganic Chemistry 57 (2018) 5449-5462

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C1-P-2018.03
Soft x-ray spectroscopy of the amine group: hydrogen bond motifs in alkylamine/alkylammonium acid-base pairs

M. Ekimova, M. Kubin, M. Ochmann, J. Ludwig, N. Huse, P. Wernet, M. Odelius, E. T. J. Nibbering

Journal of Physical Chemistry B 122 (2018) 7737-7746

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2017

C1-P-2017.03
Aqueous solvation of ammonia and ammonium: probing hydrogen bond motifs with FT-IR and soft x-ray spectroscopy

M. Ekimova, W. Quevedo, Ł. Szyc, M. Iannuzzi, P. Wernet, M. Odelius, E. T. J. Nibbering

Journal of the American Chemical Society 139 (2017) 12773–12783

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C1-P-2017.01
Ultrafast photo-induced charge transfer of 1-naphthol and 2-naphthol to halocarbon solvents

S. Chaudhuri, B. Rudshteyn, M. Prémont-Schwarz, D. Pines, E. Pines, D. Huppert, E. T. J. Nibbering, V. S. Batista

Chemical Physics Letters 683 (2017) 49-56

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2016

C1-P-2016.11
Ultrafast photoinduced charge transfer of 1-naphthol and 2-naphthol photoacids to halogenated solvents

M. Prémont-Schwarz, S. Chaudhuri, D. Pines, E. Pines, D. Huppert, V. S. Batista, E. T. J. Nibbering

Ultrafast Phenomena XX Optical Society of America (2016) UW4A.29/1-3

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C1-P-2016.04
Combined experimental and theoretical study of the transient IR spectroscopy of 7-hydroxyquinoline in the first electronically excited singlet state

F. Hoffmann, M. Ekimova, G. Bekçioğlu-Neff, E. T. J. Nibbering, D. Sebastiani

Journal of Physical Chemistry A 120 (2016) 9378–9389

URL, DOI or PDF

2015

C1-P-2015.01
Correlating photoacidity to hydrogen-bond structure by using the local O-H stretching probe in hydrogen-bonded complexes of aromatic alcohols

B. T. Psciuk, M. Prémont-Schwarz, B. Koeppe, S. Keinan, D. Xiao, E. T. J. Nibbering, V. S. Batista

Journal of Physical Chemistry A 119 (2015) 4800- 4812

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C1-P-2014.04
Ultrafast IR spectroscopy of O-H stretching modes in 2-naphthol-acetonitrile photoacid-base complexes

B. T. Psciuk, M. Prémont-Schwartz, B. Koeppe, S. Keinan, D. Xiao, V. S. Batista, E. T. J. Nibbering

Ultrafast Phenomena XIX Springer (2015) 483-486

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C1-P-2015.02
Correlating infrared and X‑ray absorption energies for molecular-level insight into hydrogen bond making and breaking in solution

M. Prémont-Schwarz, S. Schreck, M. Iannuzzi, E. T. J. Nibbering, M. Odelius, P. Wernet

Journal of Physical Chemistry B 119 (2015) 8115−8124

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C1-P-2015.11
Monitoring the microscopic molecular mechanisms of proton transfer in acid-base reactions in aqueous solutions

D. Pines, E. T. J. Nibbering, E. Pines

Israel Journal of Chemistry 55 (2015) 1240–1251

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C1-P-2015.04
A liquid flatjet system for solution phase soft-X-ray spectroscopy

M. Ekimova, W. Quevedo, M. Faubel, P. Wernet, E. T. J. Nibbering

Structural Dynamics 2 (2015) 054301/1-13

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2014

C1-P-2014.02
Competition between excited state proton and OH– transport via a short water wire: solvent effects open the gate

G. Bekçioğlu, C. Allolio, M. Ekimova, E. T. J. Nibbering, D. Sebastiani

Physical Chemistry Chemical Physics 16 (2014) 13047-3099

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2013

C1-P-2012.05
Ultrafast OH-stretching frequency shifts of hydrogen-bonded 2-naphthol photoacid-base complexes in solution

M. Prémont-Schwarz, D. Xiao, S. Sekharan, V. S. Batista, E. T. J. Nibbering

Ultrafast Phenomena XVIII EDP Sciences (2013) 06007/1-3

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C1-P-2012.07
Ultrafast excited-state proton transfer reaction of 1-naphthol-3,6-disulfonate and several 5-substituted 1-naphtol derivatives

M. Prémont-Schwarz, T. Barak, D. Pines, E. T. J. Nibbering, E. Pines

Journal of Physical Chemistry B 117 (2013) 4594-4603

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C1-D-2013.01
Elementary solute-solvent interactions and the photophysical properties of photoacids

M. Prémont-Schwarz

Dissertation Humboldt-Universität zu Berlin (2013)

C1-P-2013.04
Ultrafast Solvent-Assisted Electronic Level-Crossing

F. Messina, M. Prémont-Schwarz, O. Braem, D. Xiao, V. S. Batista, E. T. J. Nibbering, M. Chergui

Angew. Chem. 125 (2013) 7009–7013

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2012

C1-P-2011.06
Ultrafast vibrational frequency shifts induced by electronic excitations: Naphthols in low dielectric media

D. Xiao, M. Prémont-Schwarz, E. T. J. Nibbering, V. S. Batista

Journal of Physical Chemistry A 116 (2012) 2775-2790

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2011

C1-P-2011.05
The O–H stretching mode of a prototypical photoacid as a local dielectric probe

M. Prémont-Schwarz, D. Xiao, V. S. Batista, E. T. J. Nibbering

Journal of Physical Chemistry A 115 (2011) 10511-10516

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C1-P-2010.10
Ultrafast generation of aqueous carbonic adic

K. Adamczyk, M. Prémont-Schwarz, D. Pines, E. Pines, E. T. J. Nibbering

Ultrafast Phenomena XVII Oxford University Press (2011) 478-480

2010

C1-D-2010.01
Ultrafast charge transfer processes in solution

K. Adamczyk

Dissertation Humboldt-Universität (2010)

2009

C1-P-2009.05
Cation-enhanced deprotonation of water by a strong photobase

N. Munitz, Y. Avital, D. Pines, E.T.J. Nibbering, E. Pines

Israel Journal of Chemistry 49 (2009) 261-272

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C1-P-2008.06
Aqueous proton transfer pathways in bimolecular acid-base neutralization

O. F. Mohammed, K. Adamczyk, D. Pines, E. Pines, E. T. J. Nibbering

Ultrafast Phenomena XVI Springer (2009) 622-624

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C1-P-2009.01
Real-time observation of carbonic acid formation in aqueous solution

K. Adamczyk, M. Prémont-Schwarz, D. Pines, E. Pines, E. T. J. Nibbering

Science 326 (2009) 1690-1694

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C1-P-2009.02
Ultrafast protonation of cyanate anion in aqueous solution

K. Adamczyk, J. Dreyer, D. Pines, E. Pines, E. T. J. Nibbering

Israel Journal of Chemistry 49 (2009) 217-225

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2007

C1-P-2006.09
Relaxation-to-equilibrium following photoacid dissociation in mineral acids and buffer solutions

D. Pines, E. T. J. Nibbering, E. Pines

Journal of Physics: Condensed Matter 19 (2007) 065134/1-14

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C1-P-2005.02
Bimolecular proton transfer in solution

E. T. J. Nibbering, E. Pines

Handbook of Hydrogen Transfer Reactions; Vol. 2: Physical and Chemical Aspects 2 Wiley-VCH (2007) 443-458

C1-P-2007.03
Aqueous bimolecular proton transfer in acid-base neutralization

O. F. Mohammed, D. Pines, E. Pines, E. T. J. Nibbering

Chemical Physics 341 (2007) 240-257

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C1-P-2006.06
Base-induced solvent switches in acid-base reactions

O. F. Mohammed, D. Pines, E. T. J. Nibbering, E. Pines

Angewandte Chemie-International Edition 46 (2007) 1458-1461

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C1-P-2006.04
Ultrafast aqueous bimolecular acid-base proton transfer: from direct exchange to sequential hopping

O. F. Mohammed, D. Pines, J. Dreyer, E. Pines, E. T. J. Nibbering

Ultrafast Phenomena XV Springer (2007) 412-414

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2006

C1-P-2003.13
Direct observation of bimodal intermolecular proton transfer in photoacid-base pairs in water

M. Rini, B.-Z. Magnes, E. Pines, E.T.J. Nibbering

Time Resolved Vibrational Spectroscopy XI Leo S. Olschki (2006) 223-228

C1-P-2006.08
Ultrafast aqueous bimolecular proton transfer

E. T. J. Nibbering, O. F. Mohammed, J. Dreyer, D. Pines, E. Pines

Proceedings of Trombay Symposium on Radiation and PhotoChemistry 1 (2006) 36-38

2005

C1-P-2004.10
Bimodal intermolecular proton transfer in acid-base neutralization reactions in water

O.F. Mohammed, M. Rini, J. Dreyer, B.-Z. Magnes, D. Pines, E.T.J. Nibbering, E. Pines

Ultrafast Phenomena XIV Springer Verlag (2005) 448-452

URL, DOI or PDF

C1-P-2005.05
Sequential proton transfer through water bridges in acid-base reactions

O.F. Mohammed, D. Pines, J. Dreyer, E. Pines, E.T.J. Nibbering

Science 310 (2005) 83-86

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C1-P-2004.15
Solvent dependent photoacidity state of pyranine as monitored with transient mid-infrared spectroscopy

O.F. Mohammed, J. Dreyer, B.-Z. Magnes, E. Pines, E.T.J. Nibbering

ChemPhysChem 6 (2005) 625-636

URL, DOI or PDF

C1-D-2005.01
Ultraschnelle photoinduzierte Protontransferdynamik in kondensierter Materie

Katrin Adamczyk

Diplomarbeit Humboldt-Universität (2005)

2004

C1-P-2004.04
Bimodal proton transfer in acid-base reactions in water

M. Rini, D. Pines, B.-Z. Magnes, E. Pines, E.T.J. Nibbering

Journal of Chemical Physics 121 (2004) 9593-9610

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C1-P-2003.12
Bimodal intermolecular proton transfer in water: Photoacid-base pairs studied with ultrafast infrared spectroscopy

M. Rini, O.F. Mohammed, B.-Z. Magnes, E. Pines, E.T.J. Nibbering

Femtochemistry and Femtobiology: Ultrafast Events in Molecular Science Elsevier (2004) 189-192

URL, DOI or PDF

2003

C1-P-2003.06
Real-time observation of bimodal proton transfer in acid-base pairs in water

M. Rini, B.-Z. Magnes, E. Pines, E.T.J. Nibbering

Science 301 (2003) 349-352

URL, DOI or PDF

C1-D-2003.02
Femtosecond mid-infrared spectroscopy of elementary photoinduced reactions

M. Rini

Dissertation Humboldt-Universität (2003)

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