研究目的
To study the solvent sensitivity of the ?C≡N group using Raman spectroscopy and to explore its vibrational mode's dependence on solvent polarity, hydrogen bonding interactions, and the electric field around it.
研究成果
The ?C≡N bond is an ideal functional group for Raman study due to its distinct vibrational mode and sensitivity to environmental changes. The study demonstrated how the ?C≡N mode can be used to probe the nature of nitrile compounds and their interactions with solvents, pH, and other environmental factors.
研究不足
The study is limited by the range of solvents and compounds tested. The sensitivity of the ?C≡N mode to its environment, while a strength, also means that results can be highly dependent on specific conditions, which may limit generalizability.
1：Experimental Design and Method Selection:
The study utilized Raman spectroscopy to analyze the vibrational modes of the ?C≡N group in various compounds. DFT-based calculations were used to verify Raman assignments.
2：Sample Selection and Data Sources:
Samples included acetonitrile, nitrile gloves, and other ?C≡N-containing compounds. Saturated solutions of 4-cyanobenzaldehyde and p-methoxybenzonitrile were prepared in different solvents.
3：List of Experimental Equipment and Materials:
A JASCO NRS-3100 confocal dispersive Raman spectrometer equipped with a micro Raman assembly was used. Reagents included acetonitrile, 2-cyanoethyltriethoxysilane, cyanocinnamic acid, and others.
4：Experimental Procedures and Operational Workflow:
Raman spectra were obtained at room temperature. Peak reproducibility is within ±1 cm-1. Theoretical calculations were performed using Gaussian 09 software.
5：Theoretical calculations were performed using Gaussian 09 software.
Data Analysis Methods:
5. Data Analysis Methods: The Raman spectra were analyzed to observe shifts in the ?C≡N mode due to solvent effects. DFT calculations were used to validate peak assignments.
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