研究目的
Investigating the photoinduced reversible isomerization of 9H-?uorene into 1H-?uorene by means of hydrogen-atom migration and the lowest electronically excited triplet state.
研究成果
The study successfully identified the photoinduced reversible isomerization between 9H-?uorene and 1H-?uorene, with the forward reaction occurring at λ ≥ 295 nm and the backward reaction at λ ≥ 320 nm. The IR spectrum of 9H-?uorene in the T1 state was also measured, providing new insights into the molecule's electronic excited states.
研究不足
The study is limited by the specific conditions of matrix isolation and the wavelengths of UV irradiation used. The photochemical equilibrium between isomers depends on the irradiation wavelength, and the study does not explore the effects of other wavelengths or conditions.
1：Experimental Design and Method Selection:
The study utilized FTIR spectroscopy combined with DFT calculations to investigate the photoinduced isomerization of 9H-?uorene in an Ar matrix.
2：Sample Selection and Data Sources:
9H-?uorene was isolated in an Ar matrix and subjected to UV irradiation at specific wavelengths.
3：List of Experimental Equipment and Materials:
A superhigh-pressure Hg lamp, short-wavelength cuto? filters, a water filter, and an FTIR spectrometer equipped with an MCT detector were used.
4：Experimental Procedures and Operational Workflow:
The matrix-isolated sample was irradiated with UV light at λ ≥ 295 nm and λ ≥ 320 nm to induce forward and backward isomerization, respectively. IR spectra were measured before and after irradiation.
5：Data Analysis Methods:
The measured IR spectra were compared with simulated spectral patterns obtained from DFT calculations at the B3LYP/6-31++G(d,p) level.
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