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Pregled bibliografske jedinice broj: 1096383

Mechanochemical reactions of cocrystals: comparing theory with experiment in the making and breaking of halogen bonds in the solid state

Arhangelskis, Mihails; Topić, Filip; Hindle, Poppy; Tran, Ricky; Morris, Andrew J.; Cinčić, Dominik; Friščić, Tomislav
Mechanochemical reactions of cocrystals: comparing theory with experiment in the making and breaking of halogen bonds in the solid state // Chemical communications, 56 (2020), 8293-8296 doi:10.1039/D0CC02935A (međunarodna recenzija, članak, znanstveni)

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Naslov
Mechanochemical reactions of cocrystals: comparing theory with experiment in the making and breaking of halogen bonds in the solid state

Autori
Arhangelskis, Mihails ; Topić, Filip ; Hindle, Poppy ; Tran, Ricky ; Morris, Andrew J. ; Cinčić, Dominik ; Friščić, Tomislav

Izvornik
Chemical communications (1359-7345) 56 (2020); 8293-8296

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
cocrystals, mechanochemistry, halogen bond, solid state, computational chemistry

Sažetak
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.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA

Projekti:
HRZZ-IP-2019-04-1868 - Nove građevne jedinke u supramolekulskom dizajnu složenih višekomponentnih molekulskih kristala temeljenih na halogenskim vezama (HaloBond) (Cinčić, Dominik, HRZZ - 2019-04) ( CroRIS)

Ustanove:
Prirodoslovno-matematički fakultet, Zagreb

Profili:

Avatar Url Dominik Cinčić (autor)

Poveznice na cjeloviti tekst rada:

doi pubs.rsc.org

Citiraj ovu publikaciju:

Arhangelskis, Mihails; Topić, Filip; Hindle, Poppy; Tran, Ricky; Morris, Andrew J.; Cinčić, Dominik; Friščić, Tomislav
Mechanochemical reactions of cocrystals: comparing theory with experiment in the making and breaking of halogen bonds in the solid state // Chemical communications, 56 (2020), 8293-8296 doi:10.1039/D0CC02935A (međunarodna recenzija, članak, znanstveni)
Arhangelskis, M., Topić, F., Hindle, P., Tran, R., Morris, A., Cinčić, D. & Friščić, T. (2020) Mechanochemical reactions of cocrystals: comparing theory with experiment in the making and breaking of halogen bonds in the solid state. Chemical communications, 56, 8293-8296 doi:10.1039/D0CC02935A.
@article{article, author = {Arhangelskis, Mihails and Topi\'{c}, Filip and Hindle, Poppy and Tran, Ricky and Morris, Andrew J. and Cin\v{c}i\'{c}, Dominik and Fri\v{s}\v{c}i\'{c}, Tomislav}, year = {2020}, pages = {8293-8296}, DOI = {10.1039/D0CC02935A}, keywords = {cocrystals, mechanochemistry, halogen bond, solid state, computational chemistry}, journal = {Chemical communications}, doi = {10.1039/D0CC02935A}, volume = {56}, issn = {1359-7345}, title = {Mechanochemical reactions of cocrystals: comparing theory with experiment in the making and breaking of halogen bonds in the solid state}, keyword = {cocrystals, mechanochemistry, halogen bond, solid state, computational chemistry} }
@article{article, author = {Arhangelskis, Mihails and Topi\'{c}, Filip and Hindle, Poppy and Tran, Ricky and Morris, Andrew J. and Cin\v{c}i\'{c}, Dominik and Fri\v{s}\v{c}i\'{c}, Tomislav}, year = {2020}, pages = {8293-8296}, DOI = {10.1039/D0CC02935A}, keywords = {cocrystals, mechanochemistry, halogen bond, solid state, computational chemistry}, journal = {Chemical communications}, doi = {10.1039/D0CC02935A}, volume = {56}, issn = {1359-7345}, title = {Mechanochemical reactions of cocrystals: comparing theory with experiment in the making and breaking of halogen bonds in the solid state}, keyword = {cocrystals, mechanochemistry, halogen bond, solid state, computational chemistry} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus
  • MEDLINE
  • Nature Index

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