Статья учёных Института размещена на обложке престижного журнала CrystEngCom

Cтатья  сотрудников Института: к.х.н. А.А. Сониной (нс, ЛОЭ), к.х.н. К.С. Мельниковой-Беккер (снс, ЛОЭ), А.Д. Куимова (мнс, ЛОЭ),  к.х.н. И.К. Шундриной (снс, ЛЭАСМ)  и к.х.н.М.С. Казанцева (завлаб ЛОЭ) размещена на обложке престижного  журнала CrystEngComm  (IF=3.117).

Alkyl-substituted bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophenes: weakening of intermolecular interactions and additive-assisted crystallization

Alina A. Sonina, Christina S. Becker, Anatoly D. Kuimov, Inna K. Shundrina, Vladislav Yu. Komarov and Maxim S. Kazantsev

CrystEngComm, 2021,V. 23, N 14, Pp 2654-2664l

Abstract

Aggregation-induced emission (AIE) materials find their applications in organic optoelectronics, bio-imaging and sensors. In this work, we introduced alkyl substituents in AIE-active bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophene and elucidated their effect on the molecular and crystal structures, crystallization and optical properties of materials. Ethyl-containing (C2-BFMPT) and octyl-containing (C8-BFMPT) 2,5-bis(4-((2,7-dialkyl-9H-fluoren-9-ylidene)methyl)phenyl)thiophenes were synthesized in 4 steps. The introduction of alkyl groups weakened intermolecular interactions, decreased the crystal quality, melting point, and density, and increased the solubility of materials. Octyl-containing derivative was demonstrated to generate two crystal forms obtained by the native (form I) and additive-assisted (form II) crystallizations. The latter appeared to have a better crystal quality. C–H⋯π interactions and an extensive positional disorder were revealed for both derivatives. In C8-BFMPT crystals (form II) only a half of molecular backbones were well localized due to multiple intermolecular C–H⋯π interactions, whereas another half demonstrated a high positional disorder. The AIE effect with a negligible photoluminescence (PL) quantum yield (QY) in solution and a PL QY of 5% for C2-BFMPT and 2% for C8-BFMPT (form II) crystals was demonstrated. The cooling of the C8-BFMPT form II resulted in 10-fold increase of PL QY. The introduction of alkyl-substituents and additive-assisted crystallization are highlighted as powerful tools for the control of crystal packing, morphology, polymorphism and the optical performance of AIE-materials..

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