INSTITUTE OF PHYSICS POLISH ACADEMY OF SCIENCE


ON21 MOLECULAR PHOTOPHYSICS GROUP




Prof. Dr hab. Andrzej L. Sobolewski

Position

Professor of Physics

Address

Al. Lotnikow 32/46
02-668 Warszawa Poland

Phone

+(48-22) 843-66-01 (after connection dial 3210)

E-mail

sobola@ifpan.edu.pl

WWW

www.ifpan.edu.pl/ON-2/on21/sobola.html





CURRICULUM VITAE


SELECTED TOPIC OF INTERESTS AND THE RELEVANT JOURNAL ARTICLES


The physical chemistry of the photostability of life     
(wykład wygłoszony na posiedzeniu Polskiego Towarzystwa Chemicznego, Warszawa, 18.10.2007)


Role of CT States in Photophysics of Aromatic Systems


Electron Microsolvation in Water Clusters


Excited-State Intramolecular Charge Transfer


Excited-State Intramolecular Hydrogen Transfer (ESIHT)


Conical Intersections and Photophysics of Aromatic Molecules


Theory of Resonances in Molecular Photoionization



COLLABORATORS


Wolfgang Domcke

Technical University of Munich, Germany


Christophe Jouvet and Claude Dedonder-Lardeux

Université Paris-Sud, France



SELECTED PUBLICATIONS


Mechanisms of photoinduced proton transfer tailored for molecular photoswitches


74. Photochemical Hydrogen Storage with Hexaazatrinaphthylene,
Olaf Morawski, Paweł Gawryś, Jarosław Sadło, and Andrzej L. Sobolewski,
ChemPhysChem, e202200077 (2022) 1-9.


73. Water Oxidation and Hydrogen Evolution with Organic Photooxidants: A Theoretical Perspective,
W. Domcke and A.L. Sobolewski,
J. Phys. Chem. B, 126 (2022) 2777-2788.


72. Tuning the aromatic backbone twist in dipyrrolonaphthyridinediones,
Bartłomiej Sadowski, Dominik Mierzwa, Seongsoo Kang, Marek Grzybowski, Yevgen M. Poronik, Andrzej L. Sobolewski, Dongho Kim, Daniel T. Gryko,
Chem. Comm., 58 (2022) 3697-3700.


71. Unravelling the ambiguity of the emission pattern of donor–acceptor Salicylaldimines,
Cristina A. Barboza, Olaf Morawski, Joanna Olas, Paweł Gawryś, Marzena Banasiewicz,Kinga Suwinska, Sergiu Shova, Bolesław Kozankiewicz, Andrzej L. Sobolewski,
J. Mol. Liquids, 343 (2021) 117532. https://arxiv.org/abs/2111.08987.


70. Modern Theoretical Approaches to Modeling the Excited-State Intramolecular Proton Transfer: An Overview,
Joanna Jankowska and Andrzej L. Sobolewski,
Molecules, 26 (2021) 5140-16. https://arxiv.org/abs/2111.08987.


70. Are Heptazine-Based Organic Light-Emitting Diode Chromophores Thermally Activated Delayed Fluorescence or Inverted Singlet? Triplet Systems?,
Andrzej L. Sobolewski and Wolfgang Domcke,
J. Phys. Chem. Lett., 12 (2021) 6852-6860. https://arxiv.org/abs/2111.08987.


69. Triangular boron carbon nitrides: An unexplored family of chromophores with unique properties for photocatalysis and optoelectronics,
Sebastian Pios, Xiang Huang, Andrzej L. Sobolewski and Wolfgang Domcke,
PCCP, 23 (2021) 12968-12975.


68. Bowl-shaped Pentagon- and Heptagon-Embedded Nanographene Containing a Central Pyrrolo[3,2-b]pyrrole Core
Maciej Krzeszewski, Łukasz Dobrzycki, Andrzej L. Sobolewski, Michał K. Cyrański, Daniel T. Gryko,
Angew. Chem. Int. Ed, 60 (2021) 2-10.

Angewandte


67. A Weakly Electron-Defficient Core Opens the Pathway Towards Strongly Fluorescent Nitroaromatics
Bartłomiej Sadowski, Marzena Kaliszewska, Małgorzata Czichy, Patryk Janasik, Marzena Banasiewicz, Dominik Mierzwa, Wojciech Gadomski, Trevor D. Lohrey, Mieczysław Łapkowski, Bolesław Kozankiewicz, Andrzej L. Sobolewski, Piotr Piątkowski, Daniel T. Gryko,
Chem. Science 12 (2021) 14039.


66. Potent strategy towards strongly emissive nitroaromatics through a weakly electron-deficient core.
Bartłomiej Sadowski, Marzena Kaliszewska, Yevgen M. Poronik, Małgorzata Czichy, Patryk Janasik, Marzena Banasiewicz, Dominik Mierzwa, Wojciech Gadomski, Trevor D. Lohrey, John A. Clark, Mieczysław Lapkowski, Bolesław Kozankiewicz, Valentine I. Vullev,* Andrzej L. Sobolewski, Piotr Piatkowski, Daniel T. Gryko,
Chemical Science 12 (2021) 14039-14049.


65. Substituent effects on the photophysical properties of tris(salicylideneanilines).
Cristina A. Barboza*, Paweł Gawryś, Marzena Banasiewicz, Boleslaw Kozankiewicz, Andrzej Sobolewski,
Phys. Chem. Chem. Phys. 23 (2021) 1156-1164.


64. Tracking both ultrafast electrons and nuclei. Electron diffraction correlates the excited-state decay of pyridine with its ring distortion
Wolfgang Domcke and Andrzej L. Sobolewski
Science 368 (2020) 820-821.


63. Photooxidation of water with heptazine-based molecular photocatalysts: Insights from spectroscopy and computational chemistry
Wolfgang Domcke , Andrzej L. Sobolewski , and Cody W. Schlenker
J. Chem. Phys. 153 (2020 ) 100902.


62. Photophysical Transformations Induced by Chemical Substitution to Salicylaldimines,
Cristina A. Barboza, Paweł Gawryś, Marzena Banasiewicz, Kinga Suwinska and Andrzej L. Sobolewski,
Phys. Chem. Chem. Phys., 22 (2020) 6698-6705.


61. Aggregation controlled photoluminescence of hexaazatri-naphthylene (HATN) - an experimental and theoretical study
Olaf Morawski,* Jerzy Karpiuk, Paweł Gawryś, and Andrzej L. Sobolewski
Phys. Chem. Chem. Phys. 22 (2020) 15437-15447.


60. Photoinduced water oxidation in pyrimidine-water clusters: a combined experimental and theoretical study
Xiang Huang, Juan-Pablo Aranguren, Johannes Ehrmaier, Jennifer A. Noble, Weiwei Xie, Andrzej L. Sobolewski, Claude Dedonder-Lardeux, Christophe Jouvet and Wolfgang Domcke
Phys. Chem. Chem. Phys. 22 (2020) 12502-12514.


59. Highly Polarized Coumarin Derivatives Revisited: Solvent-Controlled Competition Between Proton-Coupled Electron Transfer and Twisted Intramolecular Charge Transfer
Dr. Olaf W. Morawski, Łukasz Kielesiński, Prof. Daniel T. Gryko, Prof. Andrzej L. Sobolewski
Chem. Eur. J. 26 (2020 ) 7281 –7291.


58. Molecular Design of Heptazine-Based Photocatalysts: Effect of Substituents on Photocatalytic Efficiency and Photostability
Johannes Ehrmaier, Xiang Huang, Emily J. Rabe, Kathryn L. Corp, Cody W. Schlenker, Andrzej L. Sobolewski, and Wolfgang Domcke
J. Phys. Chem A 124 (2020 ) 3698–3710.


57. Control of Excited-State Proton-Coupled Electron Transfer by Ultrafast Pump-Push-Probe Spectroscopy in Heptazine-Phenol Complexes: Implications for Photochemical Water Oxidation
Kathryn L. Corp, Emily J. Rabe, Xiang Huang, Johannes Ehrmaier, Mitchell E. Kaiser, Andrzej L. Sobolewski, Wolfgang Domcke, and Cody W. Schlenker*
J. Phys. Chem. C 124 (2020) 9151-9160.


56. Ultrafast Pump-Push-Probe Spectroscopy of H-Atom Abstraction by Functionalized Heptazine: Implications for Molecular Water Oxidation
Corp Kathryn, Rabe Emily, Huang Xiang, Ehrmaier Johannes, Kaiser Mitchell, Sobolewski Andrzej, Domcke Wolfgang, Schlenker Cody,
J. Phys. Chem. C, 124 (2020 ) 9151-9160.


55. Barrierless Heptazine-Driven Excited State Proton-Coupled Electron Transfer: Implications for Controlling Photochemistry of Carbon Nitrides and Aza-Arenes
Emily J. Rabe, Kathryn L. Corp, Xiang Huang, Johannes Ehrmaier, Ryan G. Flores, Sabrina L. Estes, Andrzej L. Sobolewski, Wolfgang Domcke, and Cody W. Schlenker
J. Phys. Chem. C 123 (2019 ) 29580?29588.


54. The Interplay between Solvation and Stacking of Aromatic Rings Governs Bright and Dark Sites of Benzo[g]coumarins
Łukasz Kielesiński, Daniel T. Gryko, Andrzej L. Sobolewski, Olaf Morawski
Chem. Eur. J. 25 (2019 ) 15305-15314.


53. Singlet-Triplet Inversion in Heptazine and in Polymeric Carbon Nitrides
Johannes Ehrmaier, Emily J. Rabe, Sarah R. Pristash, Kathryn L. Corp, Cody W. Schlenker, Andrzej L. Sobolewski, and Wolfgang Domcke*
J. Phys. Chem. A. 123 (2019 ) 8099–8108.


52. Photodynamics of alternative DNA base isoguanine
Gregory Gate, Rafał Szabla, Michael R. Haggmark, Jiri Sponer, Andrzej L. Sobolewski, and Mattanjah S. de Vries*
Phys. Chem. Chem. Phys. 21 (2019 ) 13474-13485.


51. Role of the Pyridinyl Radical in the Light-Driven Reduction of Carbon Dioxide: A First-Principles Study
Johannes Ehrmaier, Andrzej L. Sobolewski, and Wolfgang Domcke*
J. Phys. Chem. A 123 (2019 ) 3678-3684.


50. The synthesis and photophysical properties of tris-coumarins
Łukasz Kielesiński, Olaf W. Morawski, Andrzej L. Sobolewski and  Daniel T. Gryko
Phys. Chem. Chem. Phys. 21 (2019 ) 8314-8325.


49. Efficient Separation of Photogenerated Charges in a Ferroelectric Molecular Wire: Nonadiabatic Dynamics Study on 3,5-Dicyano-1, 7-dimethylopyrrolo [3, 2-f] indole Trimer
Joanna Jankowska and Andrzej L. Sobolewski
ChemPhotoChem 3 (2019) 187-192. (DOI:10.1002/cptc.201800222).

ChemPhotoChem


48. Electronic Spectra and Reversible Photoisomerization of Protonated Naphthalenes in Solid Neon
Iryna Garkusha, Adam Nagy, Jan Fulara, Michał F. Rode, Amdrzej L. Sobolewski, and John P. Maier
J. Phys. Chem. A 117 (2013) 351-360.

Protonated Naphthalene


47. On the nature and signatures of the solvated electron in water
B. Abel, U. Buck, Andrzej L. Sobolewski, Wolfgang Domcke,
Phys. Chem. Chem. Phys 14 (2012) 22.

Solvated electron


46. Photophysics of Schiff Bases: Theoretical Study of Salicylidene Methylamine
Joanna Jankowska, Michał F. Rode, Joanna Sadlej, Andrzej L. Sobolewski
CHEMPHYSCHEM 13 (2012) 4287-4294. full text

Substituent Effect


45. Ab initio study on the excited state proton transfer mediated photophysics of 3-hydroxy-picolinic acid
Michał F. Rode and Andrzej. L. Sobolewski
Chemical Physics 409 (2012) 41-48. full text

Picolac


44. Photoinduced water splitting with oxotitanium porphyrin: a computational study
Andrzej L. Sobolewski and Wolfgang Domcke
Phys. Chem. Chem. Phys 14 (2012) 12807.

water splitting


43. Photophysics of indole-2-carboxylic acid in an aqueous environment studied by fluorescence spectroscopy in combination with ab initio calculations
Annemarie Huijser, Michal F. Rode, Alice Corani, Andrzej L. Sobolewski and Villy Sundstrom
Phys. Chem. Chem. Phys. 14 (2012) 2078. full text


42. Molecular mechanism of the photostability of indigo
Shohei Yamazaki, Andrzej L. Sobolewski, Wolfgang Domcke
Phys. Chem. Chem. Phys. 13 (2011) 1618.

indigo


41. Role of excited-state hydrogen detachment and hydrogen-transfer processes for the excited-state deactivation of an aromatic dipeptide: N-acetyl tryptophan methyl amide
Dorit Shemesh, Andrzej L. Sobolewski, Wolfgang Domcke
Phys. Chem. Chem. Phys. 12 (2010) 4899.

tryptophan


40. Effect of chemical substituents on energetical landscape of a molecular switch: an ab initio study
Michał F. Rode and Andrzej L. Sobolewski
J. Phys. Chem. A 114 (2010) 11879. full text

Substituent Effect


39. Comparison of the non-radiative decay mechanisms of 4-pyrimidinone and uracil: an ab initio study
Vassil B. Delchev, Andrzej L. Sobolewski, Wolfgang Domcke
Phys. Chem. Chem. Phys. 12 (2010) 5007.

Uracil


38. Molecular mechanisms of the photostability of life
Andrzej L. Sobolewski, Wolfgang Domcke
Phys. Chem. Chem. Phys. 12 (2010) 4897.

life


37. A Bistable Molecular Switch Driven by Photoinduced Hydrogen-Atom Transfer
Leszek Łapinski, Maciej J. Nowak, Jacek Nowacki, Michał F. Rode, and Andrzej L. Sobolewski
CHEMPHYSCHEM 10 (2009) 2290. full text

Bistable


36. Switching the Conductance of a Single Molecule by Photoinduced Hydrogen Transfer
Claudia Benesch, Michał F. Rode, M. Cižek, R. Härtle, O. Rubio-Pons, M. Thoss, and Andrzej L. Sobolewski
J. Phys. Chem C 113 (2009) 10315. full text

Conductance


35. Computational Study on the Photophysics of Protonated Benzene
Michał F. Rode, Andrzej L. Sobolewski, Claude Dedonder, Christophe Jouvet, and Otto Dopfer
J. Phys. Chem. A 113 (2009) 5865. full text


34. Computational studies of the photophysics of neutral and zwitterionic amino acids in an aqueous environment: the tyrosine-(H2O)2 and tryptophan-(H2O)2 cluster
Andrzej L. Sobolewski, Dorit Shemesh, W. Domcke
J. Phys. Chem. A 113 (2009) 542.

amino-acid


33. Photochemistry of the water dimer: Time-dependent quantum wave-packet description of the dynamics at the S1-S0 conical intersection
Bartosz Chmura, Zhenggang Lan, Michał F. Rode, and Andrzej L. Sobolewski
J. Chem. Phys. 131 (2009) 134307. full text

water dimer


32. Ab initio study of the energetics of photoinduced electron and proton transfer process in bio-inspired model of photochemical water splitting
Andrzej L. Sobolewski, Wolfgang Domcke
Chem. Phys. Lett. 479 (2009) 144.

water-splitting


31. On the origin of radiationless transitions in porphycenes
Andrzej L. Sobolewski, Michał Gil, Jacek Dobkowski, Jacek Waluk
J. Phys. Chem. A 113 (2009) 7714.

porphycenes


30. Efficient Excited-State Deactivation of the Gly-Phe-Ala Tripeptide via an Electron-Driven Proton-Transfer Process
Dorit Shemesh, Andrzej L. Sobolewski, Wolfgang Domcke,
J. Am. Chem. Soc. 131 (2009) 1374.

Gly-Phe-Ala


29. Biradicalic excited states of zwitterionic phenol-ammonia clusters
A. Carrera, I.B. Nielsen, P. Carcabal, Claude Dedonder, M. Broquier, Christophe Jouvet, W. Domcke, Andrzej L. Sobolewski
J. Chem. Phys. 130 (2009) 024302.

Phenol-ammonia


28. Photophysics of xanthine: Computational study of the radiationless decay mechanism
S. Yamazaki, W. Domcke, Andrzej L. Sobolewski
Phys. Chem. Chem. Phys. 11 (2009) 10165.

Xanthine


27. A computational Study on the Mechanism of Intramolecular Oxo-Hydroxy Phototautomerism Driven by Repulsive πσ* State
Bartosz Chmura, Michał F. Rode, Andrzej L. Sobolewski., Leszek Lapinski, and Maciej J. Nowak
J. Phys. Chem. A 112 (2008) 13655. full text

PIDA


26. Photophysics of inter- and intra- molecularly hydrogen bonded systems: Computational studies on the pyrrole-pyridine complex and 2(2’-pyridyl)pyrrole
Michał F. Rode and Andrzej L. Sobolewski
Chemical Physics 347 (2008) 413. full text


25. Ab initio characterization of the conical intersections involved in the photochemistry of phenol
O.P.J. Vieuxmaire, Z. Lan, Andrzej L. Sobolewski, Wolfgang Domcke
J. Chem. Phys. 129 (2008) 224307.

Phenol-CI


24. Nonradiative decay mechanisms of the biologically relevant tautomers of guanine
S. Yamazaki, Wolfgang Domcke, Andrzej L. Sobolewski
J. Phys. Chem. A 112 (2008) 11965.

Guanine


23. Photochemistry of hydrogen-bonded aromatic pairs: quantum dynamical calculations for the pyrrole-pyridine complex
Z. Lan, L.M. Frutos, Andrzej L. Sobolewski, Wolfgang Domcke
Proc. Nat. Acad. Sci. 105 (2008) 12707.

Pyrrole-Pyridine 2008


22. A computational model of photocatalytic water splitting
Andrzej L. Sobolewski, Wolfgang Domcke
J. Phys. Chem. A. 112 (2008) 7311.

water spiltting 2008


21. Computational studies of the photophysics of neutral and zwitterionic glycine in an aqueous environment: the glycine-(H2O)2 cluster
Andrzej L. Sobolewski, Wolfgang Domcke
Chem. Phys. Lett. 457 (2008) 404.

glycine-water


20. Thioperoxy Derivative Generated by UV-Induced Transformation of N-Hydroxypyridine-2(1H)-thione Isolated in Low-Temperature Matrixes
Leszek Lapinski, Anna Gerega, Andrzej L. Sobolewski, Maciej J. Nowak
J. Phys. Chem. A 112 (2008) 238.

Thiopeoxy derivative


19. Reversible molecular switch driven by excited-state hydrogen transfer
Andrzej L. Sobolewski
Phys. Chem. Chem. Phys. 10 (2008) 1243.

Reversible


18. Computational studies of the photophysics of hydrogen-bonded molecular systems
Andrzej L. Sobolewski, Wolfgang Domcke
J. Phys. Chem. A 111 (2007) 11725.

Hydrogen bonded systems


17. Photoinduced electron and proton transfer in the hydrogen-bonded pyridine-pyrrole system
L.M. Frutos, A. Markmann, Andrzej L. Sobolewski and Wolfgang Domcke
J. Phys. Chem. B 111 (2007) 6110.

Pyrrole-pyridine 2007


16. Photophysics of eumelanin: ab initio studies on the electronic spectroscopy and photochemistry of 5,6-dihydroxyindole
Andrzej L. Sobolewski, Wolfgang Domcke
ChemPhysChem 8 (2007) 756.

5,6-di-Hydroxy-Indole


15. Computational studies of aqueous-phase photochemistry and the hydrated electron in finite-size clusters
Wolfgang Domcke and Andrzej L. Sobolewski
Phys. Chem. Chem. Phys. 9 (2007) 3818.

Aqueous


14. Conical intersections in thymine
Serhiy Perun, Andrzej L. Sobolewski, Wolfgang Domcke
J. Phys. Chem. A 110 (2006) 13328.

Thymine


13. Photophysics of intramolecularly hydrogen-bonded aromatic systems: ab initio exploration of the excited-state deactivation mechanisms of salicylic acid
Andrzej L. Sobolewski, Wolfgang Domcke
Phys. Chem. Chem. Phys. 8 (2006) 3410.

Salicylic Acid


12. Role of electron-driven proton-transfer processes in the excited-state deactivation of the adenine-thymine base pair
Serhiy Perun, Andrzej L. Sobolewski, Wolfgang Domcke
J. Phys. Chem. A 110 (2006) 9031.

Adenine-Thymine


11. On the role of dissociative ps* states in the photochemistry of protonated tryptamine and tryptophane: an ab initio study
G. Grégoire, Christophe Jouvet, Claude Dedonder, Andrzej L. Sobolewski
Chem. Phys 324 (2006) 398.

protnated Trptamine tryptophane


10. Photophysics of organic photostabilizers: ab initio study of the excited-state deactivation mechanisms of 2-(2´-hydroxyphenyl)benzotriazole
Andrzej L. Sobolewski, Wolfgang Domcke, C. Hättig
J. Phys. Chem. A 110 (2006) 6301.

benzotriazole Photostabilizer


9. Relevance of electron-driven proton-transfer processes for the photostability of proteins
Andrzej L. Sobolewski, Wolfgang Domcke
ChemPhysChem 7 (2006) 561.

proteins


8. Tautomeric selectivity of the excited-state lifetime of guanine/cytosine base pairs: the role of electron-driven proton-transfer processes
Andrzej L. Sobolewski, Wolfgang Domcke, C. Hättig
Proc. Nat. Acad. Sci. 102 (2005) 17903.

Guanine-Cytosine


7. Photochemistry of pyrrole: Time-dependent quantum wave-packet description of the dynamics on the 1ps*-S0 conical intersection ,
V. Vallet, Z.Lan, S. Mahaparta, Andrzej L. Sobolewski, Wolfgang Domcke
J. Chem. Phys. 123 (2005) 144307.

Pyrrole


6. Photostability of 9H-adenine: mechanisms of the radiationless deactivation of the lowest excited singlet states
Serhiy Perun, Andrzej L. Sobolewski, Wolfgang Domcke
Chem. Phys. 313 (2005) 107.

9H-Adenine


5. Time-dependent quantum wave-packet description of the 1ps* photochemistry of pyrrole
Z. Lan, Wolfgang Domcke, V. Vallet, Andrzej L. Sobolewski, S. Mahaparta
Faraday Discuss. 127 (2005) 283.

Pyrrole 2005


4. Photochemistry of water: the (H2O)5 cluster
Andrzej L. Sobolewski, Wolfgang Domcke
J. Chem. Phys. 122 (2005) 184320.

Water cluster 5


3. Ab initio studies on the radiationless decay mechanisms of the lowest excited states of 9H-adenine
Serhiy Perun, Andrzej L. Sobolewski, Wolfgang Domcke
J. Am. Chem. Soc. 127 (2005) 6257.

9H-Adenine


2. Photochemistry of MCl(H2O)4, M=H, Li, Na, clusters: finite-size models of the photodetachment of the chloride anion in salt solutions
Andrzej L. Sobolewski, Wolfgang Domcke
Phys. Chem. Chem. Phys. 7 (2005) 970.

MCl


1. Efficient exited-state deactivation of a model base pair: evidence for the role of excited-state hydrogen transfer and conical intersections
T. Schultz, E. Samoilova, W. Radloff, I.V. Hertel, Andrzej L. Sobolewski, Wolfgang Domcke
Science 306 (2004) 1765.


48. Hydrogen transfer in excited pyrrole-ammonia clusters ,
O. David, Claude Dedonder-Lardeux, T. Ebata, Christophe Jouvet, H. Kang, S. Martrenchard and Andrzej L. Sobolewski , J. Chem. Phys., 123 (2004), 10101.


OLD SELECTED PUBLICATIONS



A. Theory of Resonances in Molecular Photoionization


A1. Andrzej L. Sobolewski and Wolfgang Domcke, "Resonances in molecular photoionization: I. Model calculations and analysis of general phenomenon", J. Chem. Phys. 86 (1987) 176.

A2. Andrzej L. Sobolewski, "Resonances in molecular photoionization:II. Autoionization effects in the NO molecule", J. Chem. Phys. 87 (1987) 331.

A3. Andrzej L. Sobolewski and Wolfgang Domcke, "Resonances in molecular photoionization: III. Multichannel extension and application to polyatomic molecules", J. Chem. Phys. 88 (1988) 5571.

A4. Wolfgang Domcke, Andrzej L. Sobolewski and S. H. Lin, "Resonances in molecular photoionization. IV. Theory of one-color and two-color near-threshold photoionization of molecules", J. Chem. Phys. 89 (1988) 6209.

A5. Andrzej L. Sobolewski, "Influence of totally symmetric vibrational modes on the photoionization spectra of polyatomic molecules", Chem. Phys. Lett. 153 (1988) 191.

A6. A. Staib, Wolfgang Domcke, and Andrzej L. Sobolewski, "MQDT analysis of radiationless decay rates of autoionizing Rydberg states of polyatomic molecules", Chem. Phys. Lett. 162 (1989) 336.

A7. A. Staib, Wolfgang Domcke, and Andrzej L. Sobolewski, "Jahn-Teller effect in Rydberg series: a multi-state vibronic coupling problem", Z. Phys. D 16 (1990) 4



B. Conical Intersections and Photophysics of Aromatic Molecules


B1. Andrzej L. Sobolewski, "On the excess-energy dependence of radiationless decay rate constants", Chem. Phys. 115 (1987) 469.

B2. Andrzej L. Sobolewski, "An approach to the 'channel three' phenomenon of benzene", J. Chem. Phys. 93 (1990) 6433.

B3. Andrzej L. Sobolewski, E. C. Lim, and W. Siebrand, "Model study of the abrupt excess-energy dependence of radiationless decay in benzene and azabenzenes", Int. J. Quant. Chem. 39 (1991) 309.

B4. Andrzej L. Sobolewski and Wolfgang Domcke, "Photophysically relevant potential energy functions of low-lying singlet states of benzene, pyridine, and pyrazine: an ab initio study", Chem. Phys. Lett. 180 (1991) 381.

B5. L. Seidner, G. Stock, Andrzej L. Sobolewski and Wolfgang Domcke, "Ab initio characterization of the S1-S2 conical intersection in pyrazine and calculation of spectra", J. Chem. Phys. 190 (1992) 5298.

B6. Andrzej L. Sobolewski, C. Woywod, and Wolfgang Domcke, "Ab initio investigation of potential-energy surfaces involved in the photophysics of benzene and pyrazine", J. Chem. Phys. 98 (1993) 5627.

B7. Wolfgang Domcke, Andrzej L. Sobolewski and C. Woywod, "Internal conversion funnel in benzene and pyrazine: adiabatic and diabatic representation", Chem. Phys. Lett. 203 (1993) 220.

B8. C. Woywod, Wolfgang Domcke, Andrzej L. Sobolewski, and H-J. Werner, "Characterization of the S1-S2 conical intersection in pyrazine using ab initio multiconfiguration self-consistent-field and multireference configuration-interaction methods", J. Chem. Phys. 100 (1994) 1400.

B9. V. Vallet, Z. Lan, S. Mahapatra, Andrzej L. Sobolewski and Wolfgang Domcke "Time-dependent quantum wave-packet description of the photochemistry of pyrrole", Faraday Discuss. 127 (2004) 283.

B10. Z.Lan, V. Vallet, Andrzej L. Sobolewski, S. Mahaparta, Wolfgang Domcke "Time-dependent quantum wave-packet description of the photochemistry of phenol", J. Chem. Phys., 122 (2005) 224315 and selected for Virtual J. Biol. Phys. Res., 9(12), June 15, 2005.

B11. V. Vallet, Z. Lan, S. Mahapatra, Andrzej L. Sobolewski and Wolfgang Domcke "Photochemistry of pyrrole: Time-dependent quantum wave-packet description of the dynamics on the S1-S0 conical intersection", J. Chem. Phys. 123 (2005) 144307 and selected for Virtual J. Biol. Phys. Res., 10(8), October 15, 2005.



C. Excited-State Intramolecular Hydrogen Transfer (ESIHT)


C1. Andrzej L. Sobolewski and Wolfgang Domcke, "Evidence for the need of a non-Born-Oppenheimer description of excited-state hydrogen transfer", Chem. Phys. Lett.211 (1993) 82.

C2. Andrzej L. Sobolewski, "On the mechanism of excited-state hydrogen transfer in 2-hydroxypyridine", Chem. Phys. Lett.211 (1993) 293.

C3. Andrzej L. Sobolewski and Wolfgang Domcke, "Theoretical investigation of potential energy surfaces relevant for excited-state hydrogen transfer in o-hydroxybenzaldehyde", Chem. Phys.184 (1994) 115.

C4. Andrzej L. Sobolewski, "Ab initio study of potential energy surfaces relevant for hydrogen transfer in formamide, its dimer and its complex with water", J. Photochem. Photobiol.,A 89 (1995) 89.

C5. Andrzej L. Sobolewski and L. Adamowicz, "Theoretical investigations of the excited-state intramolecular proton transfer reaction in N-substituted-3-hydroxy-pyridinones", Chem. Phys. 193 (1995) 67.

C6. Andrzej L. Sobolewski and L. Adamowicz, "Theoretical investigations of proton transfer reaction in hydrogen bonded complex of cytosine with water", J. Chem. Phys.102 (1995) 5708.

C7. Andrzej L. Sobolewski and L. Adamowicz, "Theoretical investigations of the proton transfer reactions in hydrogen bonded complexes of cytosine with HNO", Chem. Phys. Lett. 234 (1995) 94.

C8. Andrzej L. Sobolewski and L. Adamowicz, "Theoretical investigations of the proton transfer reaction in hydrogen bonded complexes of 2-pyrimidinone with water", J. Phys. Chem., 99 (1995) 14277.

C9. Andrzej L. Sobolewski and Wolfgang Domcke, "Ab initio studies of reaction paths in excited-state hydrogen-transfer process", in "The Reaction Path in Chemistry: Current Approaches and Perspectives" (Volume editor D. Heidrich, Kluwer Academic Publishers, series: Understanding Chemical Reactivity, P. G. Mezey, ed.), 1995, p.257-282.

C10. Andrzej L. Sobolewski and L. Adamowicz, "Photophysics of 2-hydroxypyridine: an ab initio study", J. Phys. Chem., 100 (1996) 3933.

C11. Andrzej L. Sobolewski and L. Adamowicz, "Double proton transfer in [2,2'-bipyridine]-3,3'-diol: an ab initio study", Chem. Phys. Lett., 252 (1996) 33.

C12. Andrzej L. Sobolewski and L. Adamowicz, "An ab initio study of the potential energy surface in the S1 state of 2-hydroxypyridine", Chem. Phys., 213 (1996) 193.

C13. A. L. Sobolewski and Wolfgang Domcke, "Ab initio study of excited-state intramolecular proton dislocation in salicylic acid", Chem. Phys. 232 (1998) 257

C14. Andrzej L. Sobolewski and Wolfgang Domcke, "Photophysics of malonaldehyde: an ab initio study", J. Phys. Chem. A 103, (1999) 4494

C15. Andrzej L. Sobolewski and Wolfgang Domcke, "Potential-energy function for intramolecular proton transfer in malonaldehyde cation", Chem. Phys. Lett. 310 (1999) 548

C16. Andrzej L. Sobolewski and Wolfgang Domcke, "Ab initio potential-energy functions for excited-state intramolecular proton transfer: a comparative study of o-hydroxybenzaldehyde, salicylic acid and 7-hydroxy-1-indanone", Phys. Chem. Chem. Phys.1 (1999) 3065

C17. Andrzej L. Sobolewski, Wolfgang Domcke, "Ab Initio reaction paths and potential-energy functions for excited-state intra- and inter-molecular hydrogen-transfer processes", in "Ultrafast hydrogen bonding dynamics and proton transfer processes in the condensed phase", eds. H. Bakker and T. Elsaesser, Kluwer Academic Publishers, 2002, p. 93-115

C18. Andrzej L. Sobolewski and Wolfgang Domcke, "Intramolecular hydrogen bonding in the S1(pi-pi*) excited state of anthranilic acid and salicylic acid: TDDFT calculation of excited states geometries and infrared spectra", J. Phys. Chem. A108 (2004) 10917

C19. O. David, Claude Dedonder-Lardeux, Christophe Jouvet, H.Kang, and S.Martrenchard, T.Ebata, Andrzej L. Sobolewski "Hydrogen transfer in excitd pyrrole-ammonia clusters", J. Chem. Phys.120 (2004) 10101

C20. G. Grégoire, Christophe Jouvet, Claude Dedonder, Andrzej L. Sobolewski "On the role of dissociative pi_si* states in the photochemistry of protonated tryptamine and tryptophane: an ab initio study", Chem. Phys.324 (2006) 398

C21. Andrzej L. Sobolewski, Wolfgang Domcke, C. Hättig, "Photophysics of organic photostabilizers: ab initio study of the excited-state deactivation mechanisms of 2-(2'-hydroxyphenyl)benzotriazole", J. Phys. Chem. A 110 (2006) 6301

C22. Andrzej L. Sobolewski and Wolfgang Domcke, "Photophysics of intramolecularly hydrogen-bonded aromatic systems: ab initio exploration of the excited-state deactivation mechanisms of salicylic acid", Phys. Chem. Chem. Phys., 8 (2006) 3410

C23. G. Grégoire, Christophe Jouvet, Claude Dedonder, Andrzej L. Sobolewski "Ab initio study of the excited state deactivation pathways of protonated Tryptophan and Tyrosine", J. Am. Chem. Soc., 129 (2007) 6223

C24. Andrzej L. Sobolewski and Wolfgang Domcke, "Photophysics of eumelanin: ab initio studies on the electronic spectroscopy and photochemistry of 5,6-dihydroxyindole", ChemPhysChem, 8 (2007) 756

C25. E. Muchova, Andrzej L. Sobolewski, P. Slavicek and P. Hobza "Glycine in Electronically Excited States: Ab initio and Dynamics Study", J. Phys. Chem., A 111 (2007) 5259



D. Excited-State Intramolecular Charge Transfer


D1. Andrzej L. Sobolewski and Wolfgang Domcke, "Charge transfer in aminobenzonitriles: do they twist?", Chem. Phys. Lett., 250 (1996) 428.

D2. Andrzej L. Sobolewski and Wolfgang Domcke, "Promotion of intramolecular charge transfer in dimethylamino derivatives: twisting versus acceptor-group rehybridization", Chem. Phys. Lett. 259 (1996) 119.

D3. Andrzej L. Sobolewski and Wolfgang Domcke, "Mechanism of photoinduced intramolecular charge transfer in aminobenzethynes: an ab initio study", J. Photochem. Photobiol.,105 (1997) 325.

D4. A. Mordzinski, Andrzej L. Sobolewski, and D. H. Levy, "Dual fluorescence in aromatic nitriles: The role of the charge-transfer state", J. Phys. Chem. A 101 (1997) 8221

D5. Andrzej L. Sobolewski, W. Sudholt, and Wolfgang Domcke, "Ab initio investigation of reaction pathways for intramolecular charge-transfer in dimethylanilino derivatives", J. Phys. Chem. A 102 (1998) 2716

D6. W. Sudholt, Andrzej L. Sobolewski, and Wolfgang Domcke, "Ab initio study of the amino group twisting and wagging pathways in the intramolecular charge-transfer of 4-(N,N-dimethylamino)benzonitrile", Chem. Phys. 240 (1999) 9

D7. W. Sudholt, A. Staib, Andrzej L. Sobolewski, and Wolfgang Domcke, "Molecular-dynamics simulation of solvent effects in the intramolecular charge transfer of 4-(N,N-dimethylamino)benzonitrile", Phys. Chem. Chem. Phys., 2 (2000) 4341



E. Electron Microsolvation in Water Clusters


E3. Andrzej L. Sobolewski and Wolfgang Domcke,

"Hydrated hydronium: a cluster model of the solvated electron?", Phys. Chem. Chem. Phys., 4 (2002) 4

E4. Andrzej L. Sobolewski and Wolfgang Domcke, "Ab initio investigation on the structure and spectroscopy of hydronium - water clusters", J. Phys. Chem. A 106 (2002) 4158

E5. V. A. Ermoshin, Andrzej L. Sobolewski and Wolfgang Domcke, "Development of an effective single-electron model of the electronic structure of hydronium and hydronium-water clusters", Chem. Phys. Lett., 356 (2002) 556

E6. Andrzej L. Sobolewski, Wolfgang Domcke, "Photochemistry of HCl(H2O)4: a cluster model of the photodetachment of the chloride anion in water", J. Phys. Chem. A 107 (2003) 1557

E7. Andrzej L. Sobolewski, Wolfgang Domcke, "Anionic water clusters with large vertical electron binding energies and their electronic spectra: (H2O)11Ż and (H2O)14Ż", Phys. Chem. Chem. Phys., 5 (2003) 1130

E8. S. Neumann, W. Eisfeld, Andrzej L. Sobolewski and Wolfgang Domcke, "Simulation of the resonance Raman spectrum of the hydrated electron in the hydrated-hydronium cluster model", Phys. Chem. Chem. Phys., 6 (2004) 5297

E9. Andrzej L. Sobolewski and Wolfgang Domcke, "Photochemistry of MCl(H2O)4, M=H, Li, Na, clusters: finite-size models of the photodetachment of the chloride anion in salt solution", Phys. Chem. Chem. Phys., 7 (2005) 970

E10. Andrzej L. Sobolewski and Wolfgang Domcke, "Photochemistry of water: the (H2O)5 cluster", J. Chem. Phys., 122 (2005) 184320

E11. S. Neumann, W. Eisfeld, Andrzej L. Sobolewski and Wolfgang Domcke, "Resonance raman spectrum of the solvated electron in methanol: Simulation within a cluster model", J. Phys. Chem., A 110 (2006)

E12. Wolfgang Domcke and Andrzej L. Sobolewski "Computational studies of aqueous-phase photochemistry and the hydrated electron in finite-size clusters", Phys. Chem. Chem. Phys., 9 (2007) 3818



F. Role of CT States in Photophysics of Aromatic Systems


F1. Andrzej L. Sobolewski and Wolfgang Domcke, " On the mechanism of rapid nonradiative decay in intramolecularly hydrogen-bonden systems", Chem. Phys. Lett. 300 (1999) 533

F2. Andrzej L. Sobolewski and Wolfgang Domcke, "Ab initio investigations on the photophysics of indole", Chem. Phys. Lett., 2315 (1999) 293

F3. Andrzej L. Sobolewski and Wolfgang Domcke, "Conical intersections induced by repulsive states in planar organic molecules: malonaldehyde, pyrrole and chlorobenzene as photochemical model systems", Chem. Phys. 259 (2000) 181

F4. Andrzej L. Sobolewski and Wolfgang Domcke, "Photoejection of electrons from pyrrole into an aquaeous environment: ab initio results on pyrrole-water clusters", Chem. Phys. Lett., 321 (2000) 479

F5. Wolfgang Domcke and Andrzej L. Sobolewski, "Photolysis of heterocycles in water: Ab initio on the photochemistry of pyrrole-water and indole-water clusters", Nobel Proceedings, 117 (2000) 169

F6. Andrzej L. Sobolewski and Wolfgang Domcke, "Photoinduced charge separation in indole-water clusters ", Chem. Phys. Lett., 329 (2000) 130

F7. Andrzej L. Sobolewski and Wolfgang Domcke, "Photoinduced electron and proton transfer in phenol and its clusters with water and ammonia", J. Phys. Chem. A 105 (2001) 9275

F8. Andrzej L. Sobolewski, Wolfgang Domcke, Claude Dedonder-Lardeux, and Christophe Jouvet, "Excited-state hydrogen-detachment and hydrogen-transfer driven by repulsive state: a new paradigm for nonradiative decay in aromatic biomolecules", Phys. Chem. Chem. Phys., 4 (2002) 1093

F9. Andrzej L. Sobolewski, Wolfgang Domcke, "On the mechanism of nonradiative decay of DNA bases: ab initio and TDDFT results for the excited-states of 9H-adenine", Eur. Phys. J. D 20 (2002) 369

F10. Claude Dedonder-Lardeux, Christophe Jouvet, Serhiy Perun, and Andrzej L. Sobolewski, "External electric field effect on excited states of indole: ab initio and molecular dynamics study", Phys. Chem. Chem. Phys., 5 (2003) 5118

F11. Andrzej L. Sobolewski, Wolfgang Domcke, "Ab initio study of the excited-state coupled electron-proton-transfer process in 2-aminopyridine dimer", Chem. Phys., 294 (2003) 73

F12. Wolfgang Domcke, Andrzej L. Sobolewski, "Unraveling the Molecular Mechanisms of Photoacidity", Science, 302 (2003) 1693

F13. Andrzej L. Sobolewski, Wolfgang Domcke, "Ab initio study on photophysics of guanine-cytosine base pair", Phys. Chem. Chem. Phys., 6 (2004) 2763

F14. O. David, Claude Dedonder-Lardeux, T. Ebata, Christophe Jouvet, H. Kang, S. Martrenchard and Andrzej L. Sobolewski, "Hydrogen transfer in excited pyrrole-ammonia clusters", J. Chem. Phys., 120 (2004) 10101

F15. T. Schultz, E.Samoylova, W. Radloff, I.V. Hertel, Andrzej L. Sobolewski, Wolfgang Domcke "Efficient deactivation of a model base pair via excited-state hydrogen transfer", Science, 306 (2004) 1756

F16. Serhiy Perun, Andrzej L. Sobolewski, Wolfgang Domcke "Photostability of 9H-adenine: mechanisms of the radiationless deactivation of the lowest excited singlet", Chem. Phys., 313 (2005) 107

F17. Serhiy Perun, Andrzej L. Sobolewski, Wolfgang Domcke "Ab initio studies on the radiationless decay mechanisms of the lowest excited states of 9H-adenine", J. Am. Chem. Soc., 127 (2005) 6257

F18. Andrzej L. Sobolewski, Wolfgang Domcke, C. Hättig "Tautomeric selectivity of the excited-state lifetime of guanine/cytosine base pairs: the role of electron-driven proton-transfer", Proc. Nat. Acad. Sci., 102 (2005) 17903

F19. Andrzej L. Sobolewski and Wolfgang Domcke "Relevance of electron-driven proton-transfer processes for the photostability of proteins", ChemPhysChem, 7 (2006) 561

F20. Serhiy Perun, Andrzej L. Sobolewski, Wolfgang Domcke "Ab initio studies on the photophysics of 2-aminopurine", Mol. Phys., 104 (2006) 1113

F21. Serhiy Perun, Andrzej L. Sobolewski, Wolfgang Domcke "Role of electron-driven proton-transfer processes in the excited-state deactivation of the adenine-thymine base pair", J. Phys. Chem., A 110 (2006) 9031

F22. Andrzej L. Sobolewski and Wolfgang Domcke "The Chemical Physics of the Photostability of Life", Europhysics News 37 (2006) 20

F23. Serhiy Perun, Andrzej L. Sobolewski, Wolfgang Domcke "Conical intersections in thymine", J. Phys. Chem., A 110 (2006) 13328

F24. L.M. Frutos, A. Markmann, Andrzej L. Sobolewski and Wolfgang Domcke "Photoinduced electron and proton transfer in the hydrogen-bonded pyridine-pyrrole system", J. Phys. Chem. B 111 (2007) 6110