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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

Descriptors

  • ST2_7: Fizyka atomowa i molekularna
  • ST3_14: Elektronika molekularna

Panel

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

Host institution

Instytut Fizyki PAN

Voivodeship: mazowieckie

Other projects carried out by the institution »

Principal investigator (from the host institution)

prof. Andrzej Ludwik 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
2011-12-09
Project end date
2014-12-08
Project duration
36 months (the same as in the proposal)
Project status
Project settled

Equipment purchased [PL]

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

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 (year: 2013, volume: 117, pages: 9127-9146), Publisher: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/jp403621p – link to the publication

  2. 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 (year: 2013, volume: 117, pages: 9147-9155), Publisher: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/jp403623x – link to the publication

  3. 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 (year: 2014, volume: 4, pages: 52933-52939), Publisher: The Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/c4ra10720a – link to the publication

  4. 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. (year: 2014, volume: 20, pages: 2163-2167), Publisher: Springer
    Status:
    Published
    DOI:
    10.1007/s00894-014-2163-2 – link to the publication

  5. Excited-State Intramolecular Proton Transfer: Photoswitching in Salicylidene Methylamine Derivatives

    Authors:
    J. Jankowska. M. F. Rode, J. Sadlej, A. L. Sobolewski
    Academic press:
    ChemPhysChem (year: 2014, volume: 15, pages: 1643-1652), Publisher: Wiley-VCH
    Status:
    Published
    DOI:
    10.1002/cphc.201301205 – link to the publication

  6. 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 (year: 2012, volume: 409, pages: 41-48), Publisher: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.chemphys.2012.10.001 – link to the publication

  7. 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. (year: 2014, volume: 140, pages: 084301-14), Publisher: AIP Publishing
    Status:
    Published
    DOI:
    10.1063/1.4865815 – link to the publication

  8. 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. (year: 2013, volume: 117, pages: 351-360), Publisher: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/jp310612j – link to the publication

  9. Photophysics of Schiff bases: Theoretical study of salicylene methylamine

    Authors:
    J. Jankowska, M.F. Rode, J. Sadlej, A.L. Sobolewski
    Academic press:
    ChemPhysChem (year: 2012, volume: 13, pages: 4287-4294), Publisher: Wiley
    Status:
    Published
    DOI:
    10.1002/cphc.201200560 – link to the publication

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