1-氨基-2-丙醇的振动圆二色光谱。

Enantiomer Pub Date : 2002-07-01 DOI:10.1080/10242430212876
S. Shin, A. Hirakawa, Y. Hamada
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引用次数: 3

摘要

在2000 ~ 800 cm(-1)范围内,测定了1-氨基-2-丙醇在清洁样品和CDCl3稀溶液中的振动圆二色性(VCD)。在稀释溶液中,出现在1272和1412 cm(-1)处的两个VCD波段分别被分配给OH弯曲模式和受最稳定的构象OH弯曲影响的模式。根据高密度泛函理论(DFT)计算和氘化样品的同位素位移预测,确定了这些赋值。将VCD和普通红外测量所得的光谱进行联合分析,似乎是利用振动光谱研究溶液中氢键体系的一种有效方法。
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Vibrational circular dichroism spectrum of 1-amino-2-propanol.
Vibrational circular dichroism (VCD) spectra of 1-amino-2-propanol, of neat sample and in dilute solution of CDCl3, were measured in 2000 to 800 cm(-1) region. Two VCD bands, which appear at 1272 and 1412 cm(-1) in dilute solution, were assigned, respectively, to the OH bending mode and the mode that is influenced by the OH bending of the most stable conformer. The assignments were confirmed according to the prediction by a high-level density function theory (DFT) calculation and the isotope shift of deuterated samples. The joint analysis of the spectra obtained by the VCD and ordinary infrared (IR) measurements seems to be a useful way of using vibrational spectroscopy to investigate the hydrogen bonding system in solution.
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