Advanced search in
Research products
arrow_drop_down
Simple Search
Searching FieldsTerms
Project
arrow_drop_down
is
arrow_drop_down
New building blocks for the supramolecular design of complex multi-component molecular crystals based on halogen bonds (IP-2019-04-1868)
Include:
The following results are related to Canada. Are you interested to view more results? Visit OpenAIRE - Explore.
1 Research products, page 1 of 1

  • Canada
  • Publications
  • Article
  • Other literature type
  • PL

Date (most recent)
arrow_drop_down
  • Publication . Article . 2020
    Closed Access
    Authors: 
    Mihails Arhangelskis; Filip Topić; Poppy Hindle; Ricky Tran; Andrew J. Morris; Dominik Cinčić; Tomislav Friščić;

    doi: 10.1039/d0cc02935a

    pmid: 32573566

    Publisher: Royal Society of Chemistry (RSC)
    Country: Croatia
    Project: NSERC , HRZZ | New building blocks for t... (IP-2019-04-1868)

    Mechanochemical re-investigation of the halogen-bonded cocrystallisation of 1, 4- diazabicyclo[2.2.2]-octane and 1, 2- diiodotetrafluorobenzene revealed an unexpectedly complex system with three distinct cocrystal compositions, one of which also exhibits temperature-dependent polymorphism. This provided an opportunity to experimentally test the ability of dispersion-corrected periodic density functional theory (DFT) to not only explain the formation, but also predict the interconversion between halogen-bonded cocrystals of different stoichiometries.

    Top 10% in popularity
    Top 10% in popularity
    Popularity: Citation-based measure reflecting the current impact.
    Average/low influence
    Average/low influence
    Influence: Citation-based measure reflecting the total impact.
    addAdd to  ORCID orcid 
Advanced search in
Research products
arrow_drop_down
Simple Search
Searching FieldsTerms
Project
arrow_drop_down
is
arrow_drop_down
New building blocks for the supramolecular design of complex multi-component molecular crystals based on halogen bonds (IP-2019-04-1868)
Include:
The following results are related to Canada. Are you interested to view more results? Visit OpenAIRE - Explore.
1 Research products, page 1 of 1
  • Publication . Article . 2020
    Closed Access
    Authors: 
    Mihails Arhangelskis; Filip Topić; Poppy Hindle; Ricky Tran; Andrew J. Morris; Dominik Cinčić; Tomislav Friščić;

    doi: 10.1039/d0cc02935a

    pmid: 32573566

    Publisher: Royal Society of Chemistry (RSC)
    Country: Croatia
    Project: NSERC , HRZZ | New building blocks for t... (IP-2019-04-1868)

    Mechanochemical re-investigation of the halogen-bonded cocrystallisation of 1, 4- diazabicyclo[2.2.2]-octane and 1, 2- diiodotetrafluorobenzene revealed an unexpectedly complex system with three distinct cocrystal compositions, one of which also exhibits temperature-dependent polymorphism. This provided an opportunity to experimentally test the ability of dispersion-corrected periodic density functional theory (DFT) to not only explain the formation, but also predict the interconversion between halogen-bonded cocrystals of different stoichiometries.

    Top 10% in popularity
    Top 10% in popularity
    Popularity: Citation-based measure reflecting the current impact.
    Average/low influence
    Average/low influence
    Influence: Citation-based measure reflecting the total impact.
    addAdd to  ORCID orcid