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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Hi-Ox: Journey to the core of the atom - pushing the limits of the reachable oxidation states of metal atoms.

2016/21/B/ST4/03866

Keywords:

heavy transition metals lanthanides redox processes computational chemistry

Descriptors:

  • ST4_4: Theoretical and computational chemistry
  • ST4_15: Colloid chemistry
  • ST5_17:

Panel:

ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development

Host institution :

Uniwersytet Warszawski, Centrum Nowych Technologii Uniwersytetu Warszawskiego

woj. mazowieckie

Other projects carried out by the institution 

Principal investigator (from the host institution):

dr hab. Paweł Szarek 

Number of co-investigators in the project: 5

Call: OPUS 11 - announced on 2016-03-15

Amount awarded: 627 300 PLN

Project start date (Y-m-d): 2017-03-20

Project end date (Y-m-d): 2021-03-19

Project duration:: 48 months (the same as in the proposal)

Project status: Project settled

Project description

Download the project description in a pdf file

Note - project descriptions were prepared by the authors of the applications themselves and placed in the system in an unchanged form.

Equipment purchased [PL]

  1. Stanowisko komputerowe dla post-doca (5 000 PLN)
  2. Stanowisko komputerowe dla studentów (2 szt.) (3 650 PLN)
  3. Licencja GaussView.
  4. Licencje Windows 10 i ESET do update-u komputera kierownika projektu.
  5. Zewnętrzne przechowywanie danych (3 000 PLN)

Information in the final report

  • Publication in academic press/journals (3)
  • Book publications / chapters in book publications (1)
  1. PtX as the limit of high oxidation states in oxide–nitride species
    Authors:
    Ł. Wolański, M. Domański, P. Szarek, W. Grochala
    Academic press:
    Chemical Communications (rok: 2020, tom: 56(86), strony: 13137-13140), Wydawca: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/D0CC05361A - link to the publication
  2. Cover Feature: Beyond Oxides: Nitride as a Ligand in a Neutral IrIXNO3 Molecule Bearing a Transition Metal at High Oxidation State
    Authors:
    Łukasz Wolański, Mateusz Domański, Wojciech Grochala, Paweł Szarek
    Academic press:
    Chemistry A European Journal (rok: 2019, tom: 25, strony: 10248-10248), Wydawca: Wiley
    Status:
    Published
    DOI:
    10.1002/chem.201902720 - link to the publication
  3. The high covalence of metal-ligand bonds as stability limiting factor: the case of Rh(IX)O4+ and Rh(IX)NO3
    Authors:
    M. Domański, Ł. Wolański, P. Szarek, W. Grochala
    Academic press:
    Journal of Molecular Modeling (rok: 2020, tom: 26, strony: 52), Wydawca: Springer
    Status:
    Published
    DOI:
    10.1007/s00894-020-4308-9 - link to the publication
  1. Lessons from the Maximum Hardness Principle
    Authors:
    P. Szarek, W. Grochala
    Book:
    Chemical reactivity: theories, principles and approaches (rok: 2021, ), Wydawca: Taylor and Francis
    Status:
    Accepted for publication

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