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dc.contributor.authorKim, Jun-Yeong-
dc.contributor.authorLee, Seung-Heon-
dc.contributor.authorChoi, In Young-
dc.contributor.authorChoi, Jae-Young-
dc.contributor.authorLee, Seung-Chul-
dc.contributor.authorJazbinsek, Mojca-
dc.contributor.authorKim, Woo-Sik-
dc.contributor.authorKwak, Sang Kyu-
dc.contributor.authorHuh, Yun Suk-
dc.contributor.authorKang, Jeong Won-
dc.contributor.authorKwon, O-Pil-
dc.date.accessioned2018-09-18T14:28:05Z-
dc.date.available2018-09-18T14:28:05Z-
dc.date.issued2016-
dc.identifier.issn1528-7483de_CH
dc.identifier.issn1528-7505de_CH
dc.identifier.urihttps://digitalcollection.zhaw.ch/handle/11475/10794-
dc.description.abstractNonpolar 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.de_CH
dc.language.isodede_CH
dc.publisherAmerican Chemical Societyde_CH
dc.relation.ispartofCrystal Growth & Designde_CH
dc.rightsLicence according to publishing contractde_CH
dc.subject.ddc540: Chemiede_CH
dc.titleStereoselective inhibitors based on nonpolar hydrocarbons for polar organic crystalsde_CH
dc.typeBeitrag in wissenschaftlicher Zeitschriftde_CH
dcterms.typeTextde_CH
zhaw.departementSchool of Engineeringde_CH
zhaw.organisationalunitInstitute of Computational Physics (ICP)de_CH
dc.identifier.doi10.1021/acs.cgd.6b01201de_CH
zhaw.funding.euNode_CH
zhaw.issue11de_CH
zhaw.originated.zhawYesde_CH
zhaw.pages.end6521de_CH
zhaw.pages.start6514de_CH
zhaw.publication.statuspublishedVersionde_CH
zhaw.volume16de_CH
zhaw.publication.reviewPeer review (Publikation)de_CH
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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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