Department of Physics, Anhui University, Hefei 230601, China.
Hefei National Laboratory for Physical Sciences at the Microscale, iChEM (Collaborative Innovation Center of Chemistry for Energy Materials), Department of Chemical Physics, University of Science and Technology of China, Hefei 230026, China.
Sensors (Basel). 2018 Jun 28;18(7):2061. doi: 10.3390/s18072061.
Vibrational spectroscopy is a powerful tool for probing molecular structures and dynamics since it offers a unique fingerprint that allows molecular identification. One of important aspects of applying vibrational spectroscopy is to develop the probes that can characterize the related properties of molecules such as the conformation and intermolecular interaction. Many examples of vibrational probes have appeared in the literature, including the azide group (⁻N₃), amide group (⁻CONH₂), nitrile groups (⁻CN), hydroxyl group (⁻OH), ⁻CH group and so on. Among these probes, the ⁻CH group is an excellent one since it is ubiquitous in organic and biological molecules and the C⁻H stretching vibrational spectrum is extraordinarily sensitive to the local molecular environment. However, one challenge encountered in the application of C⁻H probes arises from the difficulty in the accurate assignment due to spectral congestion in the C⁻H stretching region. In this paper, recent advances in the complete assignment of C⁻H stretching spectra of aliphatic alcohols and the utility of C⁻H vibration as a probe of the conformation and weak intermolecular interaction are outlined. These results fully demonstrated the potential of the ⁻CH chemical group as a molecular probe.
振动光谱是探测分子结构和动力学的有力工具，因为它提供了独特的指纹，允许分子识别。应用振动光谱的一个重要方面是开发可以表征分子相关性质的探针，例如构象和分子间相互作用。许多振动探针的例子已经出现在文献中，包括叠氮基团（⁻N₃）、酰胺基团（⁻CONH₂）、腈基团（⁻CN）、羟基（⁻OH）、⁻CH 基团等。在这些探针中，⁻CH 基团是一个极好的探针，因为它在有机和生物分子中无处不在，C⁻H 伸缩振动光谱对局部分子环境非常敏感。然而，在 C⁻H 探针的应用中遇到的一个挑战是由于 C⁻H 伸缩区域的光谱拥挤，使得准确赋值变得困难。本文概述了脂肪醇 C⁻H 伸缩光谱完全赋值的最新进展以及 C⁻H 振动作为构象和弱分子间相互作用探针的用途。这些结果充分证明了 ⁻CH 化学基团作为分子探针的潜力。
