Pregled bibliografske jedinice broj: 727291
Towards understanding the NTB phase: a combined experimental, computational and spectroscopic study
Towards understanding the NTB phase: a combined experimental, computational and spectroscopic study // RSC Advances, 6 (2016), 5000-5007 doi:10.1039/C5RA26078G (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 727291 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Towards understanding the NTB phase: a combined experimental, computational and spectroscopic study
Autori
Ivšić, Trpimir ; Vinković, Marijana ; Baumeister, Ute ; Mikleušević, Ana ; Lesac, Andreja
Izvornik
RSC Advances (2046-2069) 6
(2016);
5000-5007
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
liquid crystals; NTB phase; imino dimers; NMR investigation
Sažetak
Today liquid-crystalline materials are most widely exploited for flat-panel displays, and yet their ability to self-organize into periodically ordered nanostructures gives rise to a broad variety of additional applications. The recently discovered low-temperature nematic phase (NTB) with unusual characteristics generated considerable attention within the scientific community: despite the fact that the molecules from which the phase is composed are not chiral, the helicoidal structure of the phase is strongly implicated. Here we present a combined experimental, computational, and spectroscopic study of the structural aspects influencing the formation of the NTB phase as well as the possible molecular organization within the phase. In an extensive DFT study, the structure-property prerequisite was traced to a ″bent-propeller″ shape of the molecule. Computational analysis of two possible types of molecular packing suggests that the syn- arrangement of dimeric molecules is energetically more favorable than the anti- arrangement. The NOESY investigation in the isotropic melt just prior to the Iso-N transition show the presence of intermolecular interactions that can be attributed to the syn- parallel orientation of the mesogens. The synergy of experimental, computational and NMR studies provide a new insight into possible molecular organization within the NTB phase, supporting the hierarchical model in which self-assembly of dimeric molecules with syn- parallel orientation formed in the isotropic melt represents the nucleus for its complex helical superstructures in the NTB phase.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
POVEZANOST RADA
Projekti:
IP-2014-09-1525 - Kiralnost od akiralnih tekućih kristala (CALC) (Lesac, Andreja, HRZZ - 2014-09) ( CroRIS)
098-0982929-2917 - Spektroskopija NMR i modeliranje bioaktivnih molekula (Plavšić, Dejan, MZOS ) ( CroRIS)
Ustanove:
Institut "Ruđer Bošković", Zagreb
Profili:
Marijana Vinković
(autor)
Trpimir Ivšić
(autor)
Andreja Lesac
(autor)
Ana Mikleušević
(autor)
Citiraj ovu publikaciju:
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