| Publikationstyp: | Beitrag in wissenschaftlicher Zeitschrift |
| Art der Begutachtung: | Peer review (Publikation) |
| Titel: | Stereoselective inhibitors based on nonpolar hydrocarbons for polar organic crystals |
| Autor/-in: | Kim, Jun-Yeong Lee, Seung-Heon Choi, In Young Choi, Jae-Young Lee, Seung-Chul Jazbinsek, Mojca Kim, Woo-Sik Kwak, Sang Kyu Huh, Yun Suk Kang, Jeong Won Kwon, O-Pil |
| DOI: | 10.1021/acs.cgd.6b01201 |
| Erschienen in: | Crystal Growth & Design |
| Band(Heft): | 16 |
| Heft: | 11 |
| Seite(n): | 6514 |
| Seiten bis: | 6521 |
| Erscheinungsdatum: | 2016 |
| Verlag / Hrsg. Institution: | American Chemical Society |
| ISSN: | 1528-7483 1528-7505 |
| Sprache: | Deutsch |
| Fachgebiet (DDC): | 540: Chemie |
| Zusammenfassung: | Nonpolar aliphatic hydrocarbons are usually regarded as solely antisolvents in solution crystallization processes of polar organic crystals, because of their very weak interactions with the surfaces of polar crystals compared to polar solvent interactions. Here we show that such weak interfacial interactions induced by nonpolar aliphatic hydrocarbons can be additionally used for controlling the morphology of polar organic π-conjugated crystals. Various hydrocarbons, such as n-hexane, n-octane, and n-decane, act as stereoselective inhibitors for highly polar 2-(3-(4-hydroxystyryl)-5,5-dimethylcyclohex-2-enylidene)malononitrile (OH1) crystals having large nonlinear optical and fluorescent activities. In the presence of hydrocarbons, a significant morphologic change of OH1 crystals is observed; OH1 crystals grown in conventional polar solvents exhibit a diamond-shaped plate morphology, while in the presence of nonpolar hydrocarbons, a belt-shaped morphology with an extremely large aspect ratio is obtained. The origin of the unusual stereoselective interfacial interactions on specific surfaces of OH1 crystals inducing the morphological change is investigated with molecular dynamics simulations. The theoretically predicted morphology is well-matched with the experimental morphology. |
| URI: | https://digitalcollection.zhaw.ch/handle/11475/10794 |
| Volltext Version: | Publizierte Version |
| Lizenz (gemäss Verlagsvertrag): | Lizenz gemäss Verlagsvertrag |
| Departement: | School of Engineering |
| Organisationseinheit: | Institute of Computational Physics (ICP) |
| Enthalten in den Sammlungen: | Publikationen School of Engineering |
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Kim, J.-Y., Lee, S.-H., Choi, I. Y., Choi, J.-Y., Lee, S.-C., Jazbinsek, M., Kim, W.-S., Kwak, S. K., Huh, Y. S., Kang, J. W., & Kwon, O.-P. (2016). Stereoselective inhibitors based on nonpolar hydrocarbons for polar organic crystals. Crystal Growth & Design, 16(11), 6514–6521. https://doi.org/10.1021/acs.cgd.6b01201
Kim, J.-Y. et al. (2016) ‘Stereoselective inhibitors based on nonpolar hydrocarbons for polar organic crystals’, Crystal Growth & Design, 16(11), pp. 6514–6521. Available at: https://doi.org/10.1021/acs.cgd.6b01201.
J.-Y. Kim et al., “Stereoselective inhibitors based on nonpolar hydrocarbons for polar organic crystals,” Crystal Growth & Design, vol. 16, no. 11, pp. 6514–6521, 2016, doi: 10.1021/acs.cgd.6b01201.
KIM, Jun-Yeong, Seung-Heon LEE, In Young CHOI, Jae-Young CHOI, Seung-Chul LEE, Mojca JAZBINSEK, Woo-Sik KIM, Sang Kyu KWAK, Yun Suk HUH, Jeong Won KANG und O-Pil KWON, 2016. Stereoselective inhibitors based on nonpolar hydrocarbons for polar organic crystals. Crystal Growth & Design. 2016. Bd. 16, Nr. 11, S. 6514–6521. DOI 10.1021/acs.cgd.6b01201
Kim, Jun-Yeong, Seung-Heon Lee, In Young Choi, Jae-Young Choi, Seung-Chul Lee, Mojca Jazbinsek, Woo-Sik Kim, et al. 2016. “Stereoselective inhibitors based on nonpolar hydrocarbons for polar organic crystals.” Crystal Growth & Design 16 (11): 6514–21. https://doi.org/10.1021/acs.cgd.6b01201.
Kim, Jun-Yeong, et al. “Stereoselective inhibitors based on nonpolar hydrocarbons for polar organic crystals.” Crystal Growth & Design, vol. 16, no. 11, 2016, pp. 6514–21, https://doi.org/10.1021/acs.cgd.6b01201.
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