000168566 001__ 168566
000168566 005__ 20260219090943.0
000168566 0247_ $$2doi$$a10.1016/j.molliq.2025.129175
000168566 0248_ $$2sideral$$a148035
000168566 037__ $$aART-2026-148035
000168566 041__ $$aeng
000168566 100__ $$aSimic, Kristina Gak
000168566 245__ $$aExploring the functional potential of bent-core liquid crystal-based molecules with an amide linking group
000168566 260__ $$c2026
000168566 5060_ $$aAccess copy available to the general public$$fUnrestricted
000168566 5203_ $$aA new series of bent-core molecules containing a photoactive π-conjugated structure (azobenzene, stilbene or cyanostilbene) linked to the central aromatic ring by an amide group was synthesized and characterized. Their liquid crystalline properties were analyzed in relation to the molecular structure and compared with amide-containing bent-core liquid crystals from the literature. Replacement of the azobenzene structure with a unit based on stilbene, either with or without a cyano substituent, accounted for the most significant differences in liquid crystalline behavior among the synthesized compounds. Azobenzene compound exhibited an enantiotropic B7-type phase, while (cyano)stilbene compounds formed a monotropic B1Rev phase. Cyanostilbene derivatives were fluorescent and showed aggregation-induced emission (AIE) enhancement. Furthermore, these compounds showed mechanofluorochromism, as observable emission changes in the solid state as a result of mechanical grinding. These changes turned to be reversible upon fuming with tetrahydrofuran vapor. Quantum-chemical calculations were employed to provide a detailed analysis of the most probable conformers, the impact of the cyano group orientation on the transverse and longitudinal components of the molecular dipole moment, and the electronic properties. The obtained results offer valuable molecular design guidelines for the development of new stimuli-responsive self-assembled materials.
000168566 536__ $$9info:eu-repo/grantAgreement/ES/DGA/E47-23R$$9info:eu-repo/grantAgreement/ES/MICINN-FEDER/PID2021-122882NB-I00$$9info:eu-repo/grantAgreement/ES/MICIU/CEX2023-001286-S
000168566 540__ $$9info:eu-repo/semantics/embargoedAccess$$aby-nc-nd$$uhttps://creativecommons.org/licenses/by-nc-nd/4.0/deed.es
000168566 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/acceptedVersion
000168566 700__ $$aÐordevic, Ivana
000168566 700__ $$aRybak, Paulina
000168566 700__ $$aPociecha, Damian
000168566 700__ $$0(orcid)0000-0002-7854-6316$$aGiménez, Raquel
000168566 700__ $$0(orcid)0000-0003-4416-1036$$aRos, Maria Blanca$$uUniversidad de Zaragoza
000168566 700__ $$aTrišovic, Nemanja
000168566 7102_ $$12013$$2765$$aUniversidad de Zaragoza$$bDpto. Química Orgánica$$cÁrea Química Orgánica
000168566 773__ $$g444 (2026), 129175 [11 pp.]$$pJ. mol. liq.$$tJournal of Molecular Liquids$$x0167-7322
000168566 8564_ $$s2576457$$uhttps://zaguan.unizar.es/record/168566/files/texto_completo.pdf$$yPostprint$$zinfo:eu-repo/date/embargoEnd/2027-12-20
000168566 8564_ $$s1936190$$uhttps://zaguan.unizar.es/record/168566/files/texto_completo.jpg?subformat=icon$$xicon$$yPostprint$$zinfo:eu-repo/date/embargoEnd/2027-12-20
000168566 909CO $$ooai:zaguan.unizar.es:168566$$particulos$$pdriver
000168566 951__ $$a2026-02-19-09:00:58
000168566 980__ $$aARTICLE