1. Dynamics of side chains in poly(quinoxaline-2,3-diyl)s studied via quasielastic neutron scattering.
- Author
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Inoue, R., Nagata, Y., Tominaga, T., Sato, S., Kawakita, Y., Yamawaki, T., Morishima, K., Suginome, M., and Sugiyama, M.
- Subjects
QUASI-elastic scattering ,NEUTRON scattering ,MOLECULAR dynamics ,COUPLINGS (Gearing) ,CHIRALITY ,HELICAL structure - Abstract
The side chain dynamics of poly(quinoxaline-2,3-diyl)s (PQXs) are expected to influence their conformation. To investigate these dynamics experimentally, quasielastic neutron scattering (QENS) was performed for PQXs in deuterated tetrahydrofuran (THF-d
8 ) and deuterated 1,1,2-trichloroethane/THF (1,1,2-TCE-d3 /THF-d8 ), in which they formed right-handed and left-handed helical structures, respectively. The mean-square displacement of the PQX side chains in 1,1,2-TCE-d3 /THF-d8 was lower than that in THF-d8 . Furthermore, QENS complementary studies and molecular dynamics simulations unraveled a coupling between the main-chain and side chain dynamics of PQXs, suggesting the possibility of controlling the main-chain helical chirality through the dynamics of chiral side chains. These insights present a novel strategy for the design of synthetic helical macromolecules with precise chirality control. [ABSTRACT FROM AUTHOR]- Published
- 2024
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