Krupp, Alexis ; Noll, Markus ; Reggelin, Michael (2024)
Valine derived poly (acetylenes) as versatile chiral lyotropic liquid crystalline alignment media for RDC‐based structure elucidations.
In: Magnetic Resonance in Chemistry, 2021, 59 (5)
doi: 10.26083/tuprints-00017773
Article, Secondary publication, Publisher's Version
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| Item Type: | Article |
|---|---|
| Type of entry: | Secondary publication |
| Title: | Valine derived poly (acetylenes) as versatile chiral lyotropic liquid crystalline alignment media for RDC‐based structure elucidations |
| Language: | English |
| Date: | 30 January 2024 |
| Place of Publication: | Darmstadt |
| Year of primary publication: | 2021 |
| Place of primary publication: | Chichester |
| Publisher: | John Wiley & Sons |
| Journal or Publication Title: | Magnetic Resonance in Chemistry |
| Volume of the journal: | 59 |
| Issue Number: | 5 |
| DOI: | 10.26083/tuprints-00017773 |
| Corresponding Links: | |
| Origin: | Secondary publication DeepGreen |
| Abstract: | Anisotropic samples of lyotropic liquid crystalline (LLC) phases of valine derived polyaryl acetylenes were employed as chiral alignment media for the measurement of residual dipolar couplings (RDCs) of 12 small, chiral, organic molecules. The quadrupolar splitting of the deuterium signal of CDCl₃ can be adjusted by temperature and concentration changes from 0 to 350 Hz. The LLC phases showed excellent orienting properties for all analytes bearing various functional groups. The precise extraction of RDCs in the range of up to ±30 Hz from F2‐coupled HSQC spectra was possible. Additionally, the chiral environment led to diastereomorphous interactions with the enantiomers of chiral analytes leading to two different sets of RDCs. This differential order effect was particularly pronounced with H‐bond donors like alcohols and 2° amines. |
| Uncontrolled Keywords: | computational chemistry, enantiodifferentiation, lyotropic liquid crystalline phases, NMR spectroscopy, polyacetylenes, residual dipolar couplings |
| Status: | Publisher's Version |
| URN: | urn:nbn:de:tuda-tuprints-177735 |
| Additional Information: | Special Issue: NMR of natural products |
| Classification DDC: | 500 Science and mathematics > 540 Chemistry |
| Divisions: | 07 Department of Chemistry > Clemens-Schöpf-Institut > Organ Chemistry |
| Date Deposited: | 30 Jan 2024 13:52 |
| Last Modified: | 01 Feb 2024 14:40 |
| SWORD Depositor: | Deep Green |
| URI: | https://tuprints.ulb.tu-darmstadt.de/id/eprint/17773 |
| PPN: | 515148423 |
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