INSTITUTE OF PHYSICS POLISH ACADEMY OF SCIENCES ifpan home page


ON21 MOLECULAR PHOTOPHYSICS GROUP ON21 home page




Dr hab. Michał F. Rode

Position

Associate Professor

Address

Al. Lotników 32/46
02-668 Warsaw, Poland

Phone

+(48-22) 843-66-01 (after connection dial 3124)

E-mail

mrode@ifpan.edu.pl

WWW

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

WWW

https://mrode95.wixsite.com/mrode

I am a researcher orineted into molecular photophysics.
In my research I'm using computational chemistry methods to predict photophysical properties of small aromatic moleculs.
Even though I am a theoretician, I am eagerly cooperating with experimentalists to confront my theoretical predictions with experimental findings as well as to explain mechanistic aspects of the photphysical and photochemical process on molecular level.
My hot toipic is control of the processes by exerting substituent effect.
I am ineterested in molecular photoswitches as well as in photochromism of moelcuels



RESEARCH INTERESTS


At present

  • Photophysics and photochemistry of molecules
  • Molecular mechanisms of photoswithing and photoisomerization
  • Ab initio calculations for aromatic molecules in their ground and excited states
  • Photoswitches and optical functional materials.
  • modelling and search for photo-switchable molecules
  • ESIPT phenomenon
  • Photochromism
  • Plant collorants


In the past

  • Interactions between the moelcules in the molecular clusters; nonaddditive efects in the trimers;
  • Weak interactions between transition-metal atoms.


REPRESENTATIVE PUBLICATIONS


46. Excited State Dynamics of Deuterated Indigo.
Trevor Cohen, Nathan Svadlenak, Charles Smith, Krystal Vo, Si-Young Lee, Anna Parejo-Vidal, Joseph R. A. Kincaid, Andrzej L. Sobolewski, Michał F. Rode*, and Mattanjah de Vries*
Eur. Phys. J. D 77 (2023) 168-176. IF=1.8

indigo2

indigo_1


45. Macrocyclic luminophores under confinement in a polymeric matrix – induction of large-Stokes shift by inter-unit proton transfer.
Paulina Jurek, Michał F. Rode*, Marek P. Szymański, and Agnieszka Szumna*
Journal of Materials Chemistry C 11 (2023) 10642-10650. IF=6.4


44. Long-range proton transfer in 7-hydroxy-quinoline based azomethine dyes: a hidden reason for the low efficiency.
Michał F. Rode*, Daniela Nedeltcheva, and Liudmil Antonov*
Molecules 27 (2022) 8225-8238. IF=4.927


43. Recognition-Induced Enhanced Emission of Core- Fluorescent ESIPT-type Macrocycles.
Paulina Jurek, Hanna Jędrzejewska, Michał F. Rode,* and Agnieszka Szumna*
Chemistry-A European Journal 29 (2023) e202203116. IF=5.020

recognition_1

recognition_2


42. Blockade of persistent colored isomer formation in photochromic 3H-naphthopyrans by excited-state intramolecular proton transfer.
Błażej Gierczyk, Shaun Murphree, Michał F. Rode,* and Gotard Burdziński,*
accepted in Scientific Reports 12 (2022) 19159-19170. IF=4.380


41. Mechanistic insights on photochromic 3H-naphthopyran showing strong photocoloration.
Błażej Gierczyk, Michał F. Rode,* and Gotard Burdziński,*
Scientific Reports 12 (2022) 10781-10788. IF=4.380

NP2_1

NP2_1

NP2_1


40. Cisoid-cis intermediate plays a crucial role in decolouration rate in photochromic reaction of 8H-pyranoquinazolines and 3H-naphthopyrans.
Sabina Brazevic, Marek Sikorski, Michel Sliwa, Jiro Abe, Michał F. Rode*, Gotard Burdziński
Dyes and Pigments 201 (2022) 110249-110257. IF=4.889


Photophysics of natural dyes and pigments

Betalains


39. Structural studies on stereoisomerism of a natural dye miraxanthin I.
Stanisław Niziński, L. Popenda, Michał F. Rode, A. Kumorkiewicz, Z. Fojud, E. Paluch-Lubawa, Stanisław Wybraniec, and Gotard Burdziński*
New Journal of Chemistry 43 (2019) 18165-18174. IF=3.069

Miraxatnhin I


38. Photophysical properties of betaxanthins: miraxanthin V - insight into the excited-state deactivation mechanism from experiment and computations
Stanisław Niziński, Monika Wendel, Michał F. Rode*, D. Prukala, Marek Sikorski, Stanisław Wybraniec, Gotard Burdziński*
RSC Advances 7 (2017) 6411-6421.

Miraxatnhin V_TOC

Miraxatnhin V


37. Excited state intramolecular proton transfer in hydroxyanthraquinones: Toward predicting fading of organic red colorants in art
J. Berenbeim, S. Boldissar, S. Owens, M. R. Haggmark, G. Gate, F. M. Siouri, T. Cohen, Michał F. Rode, C. S. Patterson, and Mattanjah S. de Vries*
Science Advances 5: eaaw5227 (2019) 1-9. IF=12.804


Different photophysical properties of molecules tuned by substituent effect. Photochromism, absorption and fluorescence.

Photochromism

TOC_PCCP_chromene


36. Control of the Photo-isomerization Mechanism in 3H-Naphthopyrans to Prevent Formation of Unwanted Long Lived Photoproduct
Sabina Brazevic, Staniław Niziński, Michel Sliwa, Jiro Abe*, Michał F. Rode*, and Gotard Burdziński*
Int. J. Mol. Sci. 21 (2020) 7825-7839. IF=4.556

10-methoxy-chrmoene-3

10-methoxy-chrmoene-4

10-methoxy-chrmoene

10-methoxy-chrmoene_2


35. Ultrafast dynamics of the transoid-cis isomer formed in photochromic reaction from 3H-naphthopyran
Sabina Brazevic, M. Branowski, Marek Sikorski, Michał F. Rode, and Gotard Burdziński*
ChemPhysChem 21 (2020) 1402-1407. IF=3.077


34. Photochromic reaction in 3H-naphthopyrans studied by vibrational spectroscopy and quantum chemical calculations
Sabina Brazevic, Stanisław Niziński, Rafał Szabla, Michał F. Rode*, and G. Burdziński*
Phys. Chem. Chem. Phys. 21 (2019) 11861-11870. IF=3.906

Photodissociation


33. Direct Arylation of Dipyrrolonaphthyridinediones Leads to Red-Emitting Dyes with Conformational Freedom
B. Sadowski, Michał F. Rode*, and Daniel T. Gryko*
Chemistry A European Journal 24 (2018) 855-864. IF=5.317

Arylation

Cover 1


11. Synthesis, photophysics and excited state structure of 1,8-di(p-tolyl)-1,3,5,7-octatetrayne.
Irena Deperasińska, Anna Szemik-Hojniak, K. Osowska, Michał F. Rode, A. Szczepanik, L. Wisniewski, T. Lis, and S. Szafert
J. Photochem. and Photobiol. A: Chemistry 217 (2011) 299-307. full text

Polyyns


32. Structure - chiroptical properties relationship of cisoid enones with an a-methylenecyclopentanone unit.
J. Frelek*, A. Butkiewicz, Marcin Górecki, R. K. Wojcieszczyk, R. Luboradzki, M. Kwit, Michał F. Rode, and W. J. Szczepek*
RSC Advances 4 (2014) 43977-43993.

Polyyns


Mechanisms of photoinduced proton transfer tailored for molecular photoswitches


31. Ultrafast dynamics of the ESIPT photoswitch N-(3-pyridinyl)-2-pyridinecarboxamide
H. Boehnke, J. Bahrenburg, X. Ma, K. Rottger, C. Nather, Michał F. Rode, A. L. Sobolewski, F. Temps*
Phys. Chem. Chem. Phys. 20 (2018) 2646-2655. IF=4.123

Ultrafast


30. Ferroelectric molecular field-switch based on double proton transfer process: Static and dynamical simulations
Joanna Jankowska, Michał F. Rode*, and Andrzej L. Sobolewski
J. Chem. Phys. 144 (2016) 134303-134.

Picolac


29. Effect of chemical substitutions on photo-switching properties of 3-hydroxy-picolinic acid studied by ab initio methods
Michał F. Rode* and Andrzej L. Sobolewski
J. Chem. Phys. 140 (2014) 084301-084314.

SE-Pic


28. Excited-State Intramolecular Proton Transfer: Photoswitching in Salicylidene Methylamine Derivatives
Joanna Jankowska, Michał F. Rode, Joanna Sadlej*, and Andrzej L. Sobolewski*
ChemPhysChem 15 (2014) 1643-1652.


27. 7-Hydroxyquinoline-8-Carbaldehydes. 2. Prototropic Equilibria
V. Vetokhina, Jacek Nowacki, M. Pietrzak, Michał F. Rode, Andrzej L. Sobolewski, Jacek Waluk, and Jerzy Herbich*
J. Phys. Chem. A 117 (2013) 9147-9155.


26. 7-Hydroxyquinoline-8-carbaldehydes. 1. Ground- and Excited-State Long-Range Prototropic Tautomerization
V. Vetokhina, Jacek Nowacki, M. Pietrzak, Michał F. Rode, Andrzej L. Sobolewski, Jacek Waluk, and Jerzy Herbich*
J. Phys. Chem. A 117 (2013) 9127-9146.

part I


25. i> 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 2

Picolac


24. i> 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) 11879-11889. full text

Substituent Effect


23. A Bistable Molecular Switch Driven by Photoinduced Hydrogen-Atom Transfer
Leszek Łapiński, Maciej J. Nowak, Jacek Nowacki, Michał F. Rode, and Andrzej L. Sobolewski
ChemPhysChem, 10 (2009) 2290-2295. full text

Bistable 2

Bistable


22. 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


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

Protonated Naphthalene


20. Switching the Conductance of a Single Molecule by Photoinduced Hydrogen Transfer
Claudia Benesch, Michał F. Rode, M. Cizek, R. Härtle, O. Rubio-Pons, M. Thoss, and Andrzej L. Sobolewski
J. Phys. Chem. C 113 (2009) 10315-10318. full text

Conductance


19. Contacts for organic switches with carbonnanotube Leads
Małgorzata Wierzbowska*, Michał F. Rode, M. Sadek, and Andrzej L. Sobolewski
Nanotechnology 26 (2015) 245201-245210. . IF=3.672


18. Multipeak negative differential resistance from interplay between nonlinear stark effect and double-branch current flow
M. Sadek, Małgorzata Wierzbowska*, Michał F. Rode, Amdrzej L. Sobolewski
RSC Advances 4 (2014) 52933-52939.


17. 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 ŁLapiński, and Maciej J. Nowak
J. Phys. Chem. A 112 (2008) 13655-13661. full text

PIDA


16. Computational Study on the Photophysics of Protonated Benzene
Michał F. Rode, Amdrzej L. Sobolewski, C. Dedonder, Christophe Jouvet, and Otto Dopfer
J. Phys. Chem. A 113 (2009) 5865-5873. full text

Protanted Benzene


Photophysics of the molecules and molecular complexes. Investigation of the ESIPT prcess in the molecular systems with the intra- and inter-molecular hydrogen-bond


15. 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) 413-421. full text

PPs


14. Photochemistry of the water dimer: Time-dependent quantum wave-packet description of the dynamics at the S1-S0 conical intersection.
Bartosz Chmura, Z. Lan, Michał F. Rode, and Andrzej L. Sobolewski
J. Chem. Phys. 131 (2009) 134307-134320. full text

water dimer


13. Photophysics of indole-2-carboxylic acid in an aqueous environment studied by fluorescence spectroscopy in combination with ab initio calculations
Annemarie Huijser, Michał F. Rode, Alice Corani, Andrzej L. Sobolewski, and Villy Sundström*
Phys. Chem. Chem. Phys. 14 (2012) 2078-2086. full text


Photophysics of the molecular systems in which the fluorescence quenching is observed due to nonadiabtic trnaisition between the S1 and S0 electronic states through the region of conical intersection (CI).


12. Photochemical and thermal isomerizations of C-2h and C-2v forms of para-benzoquinone dioxime: A matrix-isolation study
Leszek Lapiński, Tatiana Stepanenko, Michał F. Rode, and Maciej J. Nowak
J. Mol. Struct. 976 (2010) 181-189. full text


Ab initio calculations for the transition-metal complexes


10. Ab initio study of the O2 binding in dicopper complexes
Michał F. Rode and H-J. Werner
Theor. Chem. Acc. 114 (2005) 309-317. full text


9. Suppression of angular forces in collisions of non-S-state transition metal atoms
R. V. Krems, Jacek Kłos, Michał F. Rode, Małgorzata M. Szcześniak, Grzegorz Chałasiński, and A. Dalgarno
Phys. Rev. Lett. 94 (2005) 013202. full text


8. Suppression of angular forces in collisions of non-S-state transition metal atoms (vol 94, art no 013202, 2005).
R. V. Krems, Jacek Kłos, Michał F. Rode, Małgorzata M. Szczęśniak, Grzegorz Chałasiński, and A. Dalgarno
Phys. Rev. Lett. 94 (2005) 019902. full text


7. Interactions of transition metal atoms with He
Jacek Kłos, Michał F. Rode, Joanna E. Rode, Grzegorz Chałasiłski, and Małgorzata M. Szczęśiak
The Europ. Phys. J. D 31 (2004) 429-437. full text


6. The effect of electron detachment on the structure and properties of the chlorine-acetonitrile anionic complex
Michał F. Rode, Szczepan Roszak, J. J. Szymczak, Joanna Sadlej, and Jerzy Leszczyński
J. of Chem. Phys. 121 (2004) 6277-6281. full text


Nonadditive effects in the weak intermolecular complexes. Mixed trimers of water dimer and diatomics.


5. The nonadditive effects in the mixed trimers composed of the water dimer and diatomics H2, HF, HCl, HBr, and ClF
Michał F. Rode and Joanna Sadlej
Chem. Phys. Lett.
368 (2003) 754.
full text


4. Ab initio calculations of nonadditive effects in the trimers (H2O)2... XY, XY = N2, BF, CS
Michał F. Rode and Joanna Sadlej
Chem. Phys. Lett. 358 (2002) 237. full text


3. The (H2O)2CO ternary complex: cyclic or linear?
Michał F. Rode and Joanna Sadlej
Chem. Phys. Lett. 342 (2001) 220. full text

cyclic or linear


2. Reply to the Comment on "The importance of high-order correlation effects for the CO-CO interaction potential [Chem. Phys. Lett. 314 (1999) 326]
Michał F. Rode, Joanna Sadlej, Robert Moszyński, P. E. S. Wormer, and Ad van der Avoird
Chem. Phys. Lett. 334 (2001) 424. full text


1. The importance of high-order correlation effects for the CO-CO interaction potential
Michał F. Rode, Joanna Sadlej, Robert Moszynski, P. E. S. Wormer, and Ad van der Avoird
Chem. Phys. Lett. 314 (1999) 326.
full text