期刊
ACS APPLIED MATERIALS & INTERFACES
卷 13, 期 39, 页码 47127-47133出版社
AMER CHEMICAL SOC
DOI: 10.1021/acsami.1c13119
关键词
stimuli-responsive liquid; room temperature photoluminescent liquid; circularly polarized luminescence; N-heteroacene; molecular dynamics simulation; quantum chemical calculation; molecular modeling; time-dependent density functional theory
资金
- Japan Society for the Promotion of Science (JSPS) KAKENHI [16H04095, 18K05263, 18H05265, 20H00368, 21H01878]
- Tokyo Kasei Chemical Promotion Foundation
- Hyakujushi Bank
- Academic Culture Promotion Foundation
- Takahashi Industrial and Economic Research Foundation
- Nankai Foundation
- Next Generation Leading Research Fund
- Third Medium-Term Goals and Plans Fund, and Young Scientists Fund of Kagawa University Research Promotion Program 2019 and 2021
- Fugaku Supercomputer Project [JPMXP1020200308]
- Ministry of Education (MEXT), Japan
- Asahi Glass Foundation
- Grants-in-Aid for Scientific Research [21H01878] Funding Source: KAKEN
A novel room-temperature stimuli-responsive N-heteroacene-based liquid material bearing a chiral alkyl chain was developed, which underwent a disordered-ordered state change in response to HCl vapor to form self-assembled solid structures and trigger circularly polarized luminescence. The synergy between experimental in situ observations and molecular dynamics simulations opens up a new avenue for developing stimuli-responsive materials and discovering novel phenomena in such materials.
We developed novel room-temperature stimuli-responsive N-heteroacene-based liquid materials bearing a chiral alkyl chain. When these liquid materials were exposed to HCl vapor as an external stimulus, a disordered-ordered state change occurred immediately to yield self-assembled solid states from fluidic liquids. The self-assembly mechanism during this state change was evaluated by experimental in situ observations and molecular dynamics simulations over various spatiotemporal scales. These self-assembled structures led to supramolecular chirality through the influence of the chiral alkyl chain. As a result, circularly polarized luminescence (CPL) was triggered in the solid state, which was absent in the precursor liquid, thereby rendering this the first report on a stimuli-responsive CPL on/off liquid material. In addition, the initial state was recovered by exposure to air or upon heating. Moreover, the synergy between the experimental and the theoretical studies opens a new avenue to develop a novel class of stimuli-responsive materials and to discover novel phenomena in such materials.
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