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• W2401113602 abstract "The appearance of surface-induced phases of molecular crystals is a frequently observed phenomenon in organic electronics. However, despite their fundamental importance, the origin of such phases is not yet fully resolved. The organic molecule 6,6′-dibromoindigo (Tyrian purple) forms two polymorphs within thin films. At growth temperatures of 150 °C, the well-known bulk structure forms, while at a substrate temperature of 50 °C, a surface-induced phase is observed instead. In the present work, the crystal structure of the surface-induced polymorph is solved by a combined experimental and theoretical approach using grazing incidence X-ray diffraction and molecular dynamics simulations. A comparison of both phases reveals that π–π stacking and hydrogen bonds are common motifs for the intermolecular packing. In-situ temperature studies reveal a phase transition from the surface-induced phase to the bulk phase at a temperature of 210 °C; the irreversibility of the transition indicates that the surface-induced phase is metastable. The crystallization behavior is investigated ex-situ starting from the sub-monolayer regime up to a nominal thickness of 9 nm using two different silicon oxide surfaces; island formation is observed together with a slight variation of the crystal structure. This work shows that surface-induced phases not only appear for compounds with weak, isotropic van der Waals bonds, but also for molecules exhibiting strong and highly directional hydrogen bonds." @default.
• W2401113602 created "2016-06-24" @default.
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• W2401113602 date "2016-06-02" @default.
• W2401113602 modified "2023-10-17" @default.
• W2401113602 title "Surface-Induced Phase of Tyrian Purple (6,6′-Dibromoindigo): Thin Film Formation and Stability" @default.
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• W2401113602 doi "https://doi.org/10.1021/acs.cgd.6b00104" @default.
• W2401113602 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/4937453" @default.
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