Modeling of the Resonant X-ray Response of a Chiral Cubic Phase
The structure of a continuous-grid chiral cubic phase made of achiral constituent molecules is a hot topic in the field of thermotropic liquid crystals. Several structural models have been proposed so far. Resonant X-ray scattering (RXS), which gives information on the molecular orientation in the u...
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MDPI AG
2021-02-01
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| Series: | Crystals |
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| Online Access: | https://www.mdpi.com/2073-4352/11/2/214 |
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| author | Timon Grabovac Ewa Gorecka Damian Pociecha Nataša Vaupotič |
| author_facet | Timon Grabovac Ewa Gorecka Damian Pociecha Nataša Vaupotič |
| author_sort | Timon Grabovac |
| collection | DOAJ |
| description | The structure of a continuous-grid chiral cubic phase made of achiral constituent molecules is a hot topic in the field of thermotropic liquid crystals. Several structural models have been proposed so far. Resonant X-ray scattering (RXS), which gives information on the molecular orientation in the unit cell, could be applied to select the most appropriate model. We modeled the RXS response for the recently proposed chiral cubic phase structure with an all-hexagon chiral continuous grid. A tensor form factor of a unit cell is constructed, which enables calculation of intensities of peaks for all Miller indices. We find that all the symmetry allowed peaks are resonantly enhanced, and their intensity is much stronger than the intensity of the symmetry forbidden (resonant) peaks. In particular, we predict that a strong resonant enhancement of the symmetry allowed peaks (011) and (002), not observed in a nonresonant scattering, could be observed by RXS at the carbon absorption edge. By RXS at the sulfur absorption edge, one might observe a resonant peak (113) and resonantly enhanced peak (233), and resonant enhancement of all the peaks that are observed in a nonresonant scattering, which probably hide the rest of the predicted resonant peaks. |
| first_indexed | 2024-03-09T00:40:19Z |
| format | Article |
| id | doaj.art-2b95e77639fc4a2097ffa255e8b14997 |
| institution | Directory Open Access Journal |
| issn | 2073-4352 |
| language | English |
| last_indexed | 2024-03-09T00:40:19Z |
| publishDate | 2021-02-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Crystals |
| spelling | doaj.art-2b95e77639fc4a2097ffa255e8b149972023-12-11T17:52:35ZengMDPI AGCrystals2073-43522021-02-0111221410.3390/cryst11020214Modeling of the Resonant X-ray Response of a Chiral Cubic PhaseTimon Grabovac0Ewa Gorecka1Damian Pociecha2Nataša Vaupotič3Department of Physics, Faculty of Natural Sciences and Mathematics, University of Maribor, Koroška 160, 2000 Maribor, SloveniaFaculty of Chemistry, University of Warsaw, Żwirki i Wigury 101, 02-089 Warsaw, PolandFaculty of Chemistry, University of Warsaw, Żwirki i Wigury 101, 02-089 Warsaw, PolandDepartment of Physics, Faculty of Natural Sciences and Mathematics, University of Maribor, Koroška 160, 2000 Maribor, SloveniaThe structure of a continuous-grid chiral cubic phase made of achiral constituent molecules is a hot topic in the field of thermotropic liquid crystals. Several structural models have been proposed so far. Resonant X-ray scattering (RXS), which gives information on the molecular orientation in the unit cell, could be applied to select the most appropriate model. We modeled the RXS response for the recently proposed chiral cubic phase structure with an all-hexagon chiral continuous grid. A tensor form factor of a unit cell is constructed, which enables calculation of intensities of peaks for all Miller indices. We find that all the symmetry allowed peaks are resonantly enhanced, and their intensity is much stronger than the intensity of the symmetry forbidden (resonant) peaks. In particular, we predict that a strong resonant enhancement of the symmetry allowed peaks (011) and (002), not observed in a nonresonant scattering, could be observed by RXS at the carbon absorption edge. By RXS at the sulfur absorption edge, one might observe a resonant peak (113) and resonantly enhanced peak (233), and resonant enhancement of all the peaks that are observed in a nonresonant scattering, which probably hide the rest of the predicted resonant peaks.https://www.mdpi.com/2073-4352/11/2/214chiral cubic phaseresonant X-ray scatteringtheoretical modelingtensor form factor |
| spellingShingle | Timon Grabovac Ewa Gorecka Damian Pociecha Nataša Vaupotič Modeling of the Resonant X-ray Response of a Chiral Cubic Phase Crystals chiral cubic phase resonant X-ray scattering theoretical modeling tensor form factor |
| title | Modeling of the Resonant X-ray Response of a Chiral Cubic Phase |
| title_full | Modeling of the Resonant X-ray Response of a Chiral Cubic Phase |
| title_fullStr | Modeling of the Resonant X-ray Response of a Chiral Cubic Phase |
| title_full_unstemmed | Modeling of the Resonant X-ray Response of a Chiral Cubic Phase |
| title_short | Modeling of the Resonant X-ray Response of a Chiral Cubic Phase |
| title_sort | modeling of the resonant x ray response of a chiral cubic phase |
| topic | chiral cubic phase resonant X-ray scattering theoretical modeling tensor form factor |
| url | https://www.mdpi.com/2073-4352/11/2/214 |
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