研究目的
Investigating the induced circular dichroism (ICD) of phenol complexed with R-(–)-2-butanol in a supersonic jet to understand the physical properties governing the ICD values between different complexes.
研究成果
The study demonstrates that R2PICD spectroscopy of jet-cooled host-guest complexes is a powerful tool to investigate the ICD phenomenon on a molecular level, revealing insights into the chirality transfer between achiral and chiral molecules. The ICD values of PhOH-(–)BOH were found to be inversely proportional to the differences between the absorption frequencies of PhOH and the bound chiral molecules for the S0-S1 transition.
研究不足
The study is limited by the standard deviations in the measured ICD values, which were rather large. Additionally, not all predicted low-energy conformers were detected, possibly due to rapid non-radiative relaxation processes.
1：Experimental Design and Method Selection:
The study used resonant two-photon ionization CD (R2PICD) spectroscopy to investigate the ICD of phenol complexes with R-(–)-2-butanol in a supersonic jet. UV-UV hole-burning and IR ion-dip spectroscopy were combined with quantum theoretical calculations to identify conformers.
2：Sample Selection and Data Sources:
Phenol and R-(–)-2-butanol were used without further purification. The complexes were formed in a supersonic jet expansion.
3：List of Experimental Equipment and Materials:
A time-of-flight (TOF) mass spectrometer, dye laser pumped by a Nd:YAG laser, and a photoelastic modulator (PEM) were used.
4：Experimental Procedures and Operational Workflow:
The R2PICD spectra were obtained by subtracting R2PI signals produced by RCP pulses from those obtained by LCP pulses. UV-UV HB and IR ion-dip spectra were obtained to identify conformers.
5：Data Analysis Methods:
The data were analyzed using quantum theoretical calculations, including density functional theory (DFT) and time-dependent DFT (TDDFT), to simulate electronic spectra and investigate the coupling of electric transition dipole moments.
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