Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

Equipment

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Hydrogen and proton transfer reactions as mechanisms for controlling electrical transport in single molecule junctions: Theory, modelling and simulations

2011/01/M/ST2/00561

Keywords:

molecular photophysics proton transfer electron transport molecular junction

Descriptors:

  • ST2_7: Atomic and molecular physics
  • ST3_14: Fluid dynamics (physics)

Panel:

ST2 - Fundamental constituents of matter: particle, nuclear, plasma, atomic, molecular, gas and optical physics

Host institution :

Instytut Fizyki PAN

woj. mazowieckie

Other projects carried out by the institution 

Principal investigator (from the host institution):

prof. Andrzej Sobolewski 

Number of co-investigators in the project: 7

Call: HARMONIA 1 - announced on 2011-03-15

Amount awarded: 331 500 PLN

Project start date (Y-m-d): 2011-12-09

Project end date (Y-m-d): 2014-12-08

Project duration:: 36 months (the same as in the proposal)

Project status: Project settled

Equipment purchased [PL]

  1. Licencja oprogramowania (4 500 PLN)
  2. Terminal komputerowy.
  3. Stacja robocza (2 szt.) (45 500 PLN)

Information in the final report

  • Publication in academic press/journals (9)
  1. 7-Hydroxyquinoline-8-carbaldehydes. 1. Ground- and Excited-State Long-Range Prototropic Tautomerization
    Authors:
    V. Vetokhina,J. Nowacki, M. Pietrzak, M.F. Rode, A.L. Sobolewski, J. Waluk, J. Herbich
    Academic press:
    J. Phys. Chem. A (rok: 2013, tom: 117, strony: 9127-9146), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/jp403621p - link to the publication
  2. Ab initio study on the excited state proton transfer mediated photophysics of 3-hydroxy-picolinic acid
    Authors:
    M.F. Rode, A.L. Sobolewski
    Academic press:
    Chemical Physics (rok: 2012, tom: 409, strony: 41-48), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.001 - link to the publication
  3. Electronic Spectra and Reversible Photoisomerization of Protonated Naphthalenes in Solid Neon
    Authors:
    I. Garkusha, A. Nagy, J. Fulara, M.F. Rode, A.L. Sobolewski, J. Maier
    Academic press:
    J. Phys. Chem. A. (rok: 2013, tom: 117, strony: 351-360), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/jp310612j - link to the publication
  4. Photophysics of Schiff bases: Theoretical study of salicylene methylamine
    Authors:
    J. Jankowska, M.F. Rode, J. Sadlej, A.L. Sobolewski
    Academic press:
    ChemPhysChem (rok: 2012, tom: 13, strony: 4287-4294), Wydawca: Wiley
    Status:
    Published
    DOI:
    10.1002/cphc.201200560 - link to the publication
  5. Effect of chemical substitutions on photo-switching properties of 3-hydroxy-picolinic acid studied by ab initio methods
    Authors:
    M. F. Rode, A. L. Sobolewski
    Academic press:
    J. Chem. Phys. (rok: 2014, tom: 140, strony: 084301-14), Wydawca: AIP Publishing
    Status:
    Published
    DOI:
    10.1063/1.4865815 - link to the publication
  6. Excited-State Intramolecular Proton Transfer: Photoswitching in Salicylidene Methylamine Derivatives
    Authors:
    J. Jankowska. M. F. Rode, J. Sadlej, A. L. Sobolewski
    Academic press:
    ChemPhysChem (rok: 2014, tom: 15, strony: 1643-1652), Wydawca: Wiley-VCH
    Status:
    Published
    DOI:
    10.1002/cphc.201301205 - link to the publication
  7. Switching the conductance of a molecular junction using a proton transfer reaction
    Authors:
    Ch. Hofmeister, R. Härtle, Ó. Rubio-Pons, P. B. Coto, A. L. Sobolewski, Michael Thoss
    Academic press:
    J. Mol. Model. (rok: 2014, tom: 20, strony: 2163-2167), Wydawca: Springer
    Status:
    Published
    DOI:
    10.1007/s00894-014-2163-2 - link to the publication
  8. 7-Hydroxyquinoline-8-carbaldehydes. 2. Prototropic Equilibria
    Authors:
    V. Vetokhina, J. Nowacki, M. Pietrzak, M.F. Rode, A.L. Sobolewski, J. Waluk, J. Herbich
    Academic press:
    J. Phys. Chem. A (rok: 2013, tom: 117, strony: 9147-9155), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/jp403623x - link to the publication
  9. Multipeak negative differential resistance from interplay between nonlinear stark effect and double-branch current flow
    Authors:
    M. Sadek, M. Wierzbowska, M. F. Rode and A. L. Sobolewski
    Academic press:
    RSC Advances (rok: 2014, tom: 4, strony: 52933-52939), Wydawca: The Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/c4ra10720a - link to the publication

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