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Ab initio prediction of structures and properties of metal-organic frameworks for sensor applications

2018/31/D/ST5/03619

Keywords:

metal-organic frameworks crystal structure prediction fluorescent sensors

Descriptors:

  • ST3_2: Mechanical and acoustical properties of condensed matter, lattice dynamics
  • ST5_6: Porous materials, ceramics, glasses
  • ST5_9: Biomaterials, biocompatible materials

Panel:

ST5 - Materials: materials synthesis, structure-properties relations, advanced and functional materials with designed properties, (macro)molecular architecture, material engineering

Host institution :

Uniwersytet Warszawski, Wydział Chemii

woj. mazowieckie

Other projects carried out by the institution 

Principal investigator (from the host institution):

dr Mihails Arhangelskis 

Number of co-investigators in the project: 2

Call: SONATA 14 - announced on 2018-09-14

Amount awarded: 1 244 000 PLN

Project start date (Y-m-d): 2019-10-03

Project end date (Y-m-d): 2023-10-02

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

Project status: Project settled

Project description

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

Information in the final report

  • Publication in academic press/journals (10)
  1. Disappearing Polymorphs in Metal–Organic Framework Chemistry: Unexpected Stabilization of a Layered Polymorph over an Interpenetrated Three‐Dimensional Structure in Mercury Imidazolate
    Authors:
    Speight, Isaiah R. Huskić, Igor; Arhangelskis, Mihails; Titi, Hatem M.; Stein, Robin S.; Hanusa, Timothy P.; Friščić, Tomislav
    Academic press:
    Chemistry – A European Journal (rok: 2020, tom: 26, strony: 1811-1818), Wydawca: Wiley-VCH GmbH, Weinheim
    Status:
    Published
    DOI:
    10.1002/chem.201905280 - link to the publication
  2. Experimentally Validated Ab Initio Crystal Structure Prediction of Novel Metal–Organic Framework Materials
    Authors:
    Yizhi Xu Yizhi Xu Faculty of Chemistry, University of Warsaw; 1 Pasteura Street, Warsaw 0Yizhi Xu, Joseph M. Marrett, Hatem M. Titi, James P. Darby, Andrew J. Morris Tomislav Friščić, Mihails Arhangelskis
    Academic press:
    Journa of the American Chemical Society (rok: 2023, tom: 145, strony: 3515-3525), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/jacs.2c12095 - link to the publication
  3. Simplifying and expanding the scope of boron imidazolate framework (BIF) synthesis using mechanochemistry
    Authors:
    Lennox, Cameron B.; Do, Jean-Louis; Crew, Joshua G.; Arhangelskis, Mihails; Titi, Hatem M.; Howarth, Ashlee J.; Farha, Omar K.; Friščić, Tomislav
    Academic press:
    Chemical Science (rok: 2021, tom: 12, strony: 14499-14506), Wydawca: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/D1SC03665C - link to the publication
  4. Experimental and Theoretical Evaluation of the Thermodynamics of the Carbonation Reaction of ZIF-8 and Its Close-Packed Polymorph with Carbon Dioxide
    Authors:
    Leonel, G. J.; Lennox, C. B.; Xu, Y.; Arhangelskis, M.; Friščić, T.; Navrotsky, A.
    Academic press:
    The Journal of Physical Chemistry C (rok: 2023, tom: 127, strony: 19520-19526), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jpcc.3c04135 - link to the publication
  5. Metal–organic frameworks as hypergolic additives for hybrid rockets
    Authors:
    Olivier Jobin, Cristina Mottillo, Hatem M. Titi, Joseph M. Marrett, Mihails Arhangelskis, Robin D. Rogers, Bachar Elzein, Tomislav Friščić, Etienne Robert
    Academic press:
    Chemical Science (rok: 2022, tom: 13, strony: 3424-3436), Wydawca: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/D1SC05975K - link to the publication
  6. Ab Initio Prediction of Metal-Organic Framework Structures
    Authors:
    James P. Darby; Mihails Arhangelskis; Athanassios D. Katsenis; Joseph M. Marrett; Tomislav Friščić; Andrew J. Morris
    Academic press:
    Chemistry of Materials (rok: 2020, tom: 32, strony: 5835-5844), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.chemmater.0c01737 - link to the publication
  7. Hirshfeld atom refinement of metal–organic frameworks for accurate positioning of hydrogen atoms and disorder analysis
    Authors:
    Xu, Y.; Chodkiewicz, M. L.; Woińska, M.; Trzybiński, D.; Brekalo, I.; Topić, F.; Woźniak, K.; Arhangelskis, M.
    Academic press:
    Chemical Communications (rok: 2023, tom: 59, strony: 8799-8802), Wydawca: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/D3CC01369C - link to the publication
  8. Influence of ligand composition on crystal structure formation – isostructurality and morphotropism
    Authors:
    Arhangelskis, Mihails; Van Meervelt, Luc; Dobrzańska, Liliana
    Academic press:
    CrystEngComm (rok: 2021, tom: 23, strony: 317-323), Wydawca: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/D0CE01302A - link to the publication
  9. Linker Substituents Control the Thermodynamic Stability in Metal–Organic Frameworks
    Authors:
    Novendra Novendra; Joseph M. Marrett; Athanassios D. Katsenis; Hatem M. Titi; Mihails Arhangelskis; Tomislav Friščić; and Alexandra Navrotsky
    Academic press:
    Journal of the American Chemical Society (rok: 2020, tom: 142, strony: 21720-21729), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/jacs.0c09284 - link to the publication
  10. Low-Dimensional Magnetism in Multivariate Copper/Zinc MOF-74 Materials Formed via Different Mechanochemical Methods
    Authors:
    Senada Muratović, Valentina Martinez, Bahar Karadeniz, Damir Pajić, Ivana Brekalo, Mihails Arhangelskis, Matjaž Mazaj, Gregor Mali, Martin Etter, Tomislav Friščić, Yulia Krupskaya, Vladislav Kataev, Dijana Žilić, Krunoslav Užarević
    Academic press:
    Inorganic Chemistry (rok: 2022, tom: 61, strony: 18181-18192), Wydawca: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.inorgchem.2c02898 - link to the publication

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