研究目的
To prepare transition metal complexes that could act as potential tectons for triple hydrogen bond-directed assembly.
研究成果
The L1, L2, and L4 complexes show promise as tectons for hydrogen bond-directed assembly in solid state, with potential for tuning emission properties, while L3 complexes are less suitable due to lack of expected hydrogen bonding.
研究不足
The complexes showed limited solubility in non-hydrogen bonding solvents, and no evidence of homosynthon assembly in solution was observed. The L3 complexes did not exhibit expected hydrogen bonding patterns in solid state, limiting their utility for heterosynthon formation.
1：Experimental Design and Method Selection:
The study involved synthesizing and characterizing Ru(II) and Ir(III) complexes with ligands containing DAD or ADA hydrogen bonding motifs. Methods included microwave-assisted synthesis, X-ray crystallography, NMR spectroscopy, UV-Vis spectroscopy, emission spectroscopy, Raman spectroscopy, and computational modeling using B3LYP and TD-DFT methods.
2：Sample Selection and Data Sources:
Ligands L1 and L2 were synthesized via multi-step processes involving Sonogashira and CuAAC reactions, while L3 and L4 were prepared from literature methods or purchased. Complexes were formed by reacting ligands with metal precursors.
3：List of Experimental Equipment and Materials:
Equipment included microwave reactors, NMR spectrometers, X-ray diffractometers, UV-Vis spectrometers, fluorometers, Raman spectrometers, and computational software. Materials included metal salts, organic reagents, solvents (e.g., DMSO, acetonitrile), and deuterated solvents for NMR.
4：Experimental Procedures and Operational Workflow:
Synthesis involved heating mixtures under inert atmospheres, precipitation with salts, recrystallization, and purification. Characterization included collecting NMR, UV-Vis, emission, and Raman spectra, and solving crystal structures.
5：Data Analysis Methods:
Data were analyzed using standard spectroscopic techniques, Hirshfeld analysis for crystal structures, and computational methods for electronic properties.
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