Determination of the n-director direction of low bend-angle banana-shaped molecules by solid-state C-13 NMR
- Authors
- Yamada, Kazuhiko; Lee, Eun Woo; Hattori, Masaya; Kawauchi, Susumu; Choi, E. -Joon; Watanabe, Junji; Kang, Sungmin
- Issue Date
- 2014
- Publisher
- ROYAL SOC CHEMISTRY
- Citation
- JOURNAL OF MATERIALS CHEMISTRY C, v.2, no.48, pp 10418 - 10427
- Pages
- 10
- Journal Title
- JOURNAL OF MATERIALS CHEMISTRY C
- Volume
- 2
- Number
- 48
- Start Page
- 10418
- End Page
- 10427
- URI
- https://scholarworks.bwise.kr/kumoh/handle/2020.sw.kumoh/26935
- DOI
- 10.1039/c4tc01687d
- ISSN
- 2050-7526
2050-7534
- Abstract
- The structural behavior of 2,3-naphthylene bis[2-fluoro-4-(4-(dodecyloxybenzoyloxy)benzoate], an acute-shaped banana liquid crystal (LC) molecule, in the smectic and nematic phases was investigated using solid-state nuclear magnetic resonance (NMR) spectroscopy in an 11.7 inverted perpendicular magnetic field. Analysis of the alignment-induced shifts in both the LC phases indicated that the LC directors were aligned with the external magnetic field direction, and the "bow-string" direction in the present bent-core LC molecule was parallel to the layer direction in the smectic phase. In addition, systematic quantum chemical calculations were performed to determine the three-dimensional structure, and it was found that two arms of the LC molecule are close to one another and overlap via pi-stacking interactions, such that the overall shape is a U-shape.
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