研究目的
To control the sign of circularly polarized luminescence (CPL) by the orientation of stacked π-electron systems in planar chiral molecules, specifically comparing V-shaped and X-shaped structures.
研究成果
The orientation of stacked π-electron systems in planar chiral molecules controls the sign of circularly polarized luminescence (CPL), with V-shaped and X-shaped structures exhibiting opposite CPL signs despite the same absolute configuration. This demonstrates that CPL can be manipulated by designing higher-ordered structures, offering potential for applications in optoelectronics. Future work should explore solid-state and aggregated systems to enhance CPL intensity.
研究不足
The study is limited to solution-phase measurements in CHCl3; solid-state or aggregated forms may show different behaviors. The synthesis and optical resolution steps may have scalability issues. Theoretical models assume certain approximations and may not fully capture all molecular interactions.
1：Experimental Design and Method Selection:
The study involved synthesizing new planar chiral building blocks based on 4,7,12,15-tetrasubstituted [2.2]paracyclophanes using optical resolution and cross-coupling reactions. Theoretical modeling with time-dependent density functional theory (TD-DFT) was used to support experimental findings.
2：2]paracyclophanes using optical resolution and cross-coupling reactions. Theoretical modeling with time-dependent density functional theory (TD-DFT) was used to support experimental findings.
Sample Selection and Data Sources:
2. Sample Selection and Data Sources: Enantiopure compounds were synthesized and purified. Samples were prepared in CHCl3 solution at concentrations of 1.0 × 10^–5 M for optical measurements.
3：0 × 10^–5 M for optical measurements.
List of Experimental Equipment and Materials:
3. List of Experimental Equipment and Materials: Instruments included NMR spectrometers, high-resolution mass spectrometry (HRMS), UV-vis spectrophotometer, circular dichroism (CD) spectrometer, photoluminescence (PL) spectrometer, and CPL spectrometer. Materials included various chemicals for synthesis such as (1S,4R)-camphanic chloride, Br2, KOH, MeI, trimethylsilylacetylene, Pd catalysts (e.g., Pd2(dba)3), and solvents.
4：Experimental Procedures and Operational Workflow:
Synthesis involved optical resolution of rac-1 with (1S,4R)-camphanic chloride, bromination, removal of chiral auxiliary, and cross-coupling reactions to form V-shaped and X-shaped molecules. Optical properties were measured using UV-vis, CD, PL, and CPL spectroscopies with specified excitation wavelengths.
5：Data Analysis Methods:
Data were analyzed to determine extinction coefficients (ε), PL quantum yields (ΦPL), CPL dissymmetry factors (glum), and compared with theoretical simulations from TD-DFT.
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