Department of Chemistry, Institute of Food Sciences, Warsaw University of Life Sciences, 02-776 Warsaw, Poland.
Institute of Technology and Life Sciences-National Research Institute, 3 Hrabska Ave., Falenty, 05-090 Raszyn, Poland.
Int J Mol Sci. 2023 Jan 5;24(2):1013. doi: 10.3390/ijms24021013.
This paper discusses the state of advancement in the development of spectroscopic methods based on the use of mid (proper) infrared radiation in the context of applications in various fields of science and technology. The authors drew attention to the most important solutions specific to both spectroscopy itself (ATR technique) and chemometric data processing tools (PCA and PLS models). The objective of the current paper is to collect and consistently present information on various aspects of FT-IR spectroscopy, which is not only a well-known and well-established method but is also continuously developing. The innovative aspect of the current review is to show FT-IR's great versatility that allows its applications to solve and explain issues from both the scientific domain (e.g., hydrogen bonds) and practical ones (e.g., technological processes, medicine, environmental protection, and food analysis). Particular attention was paid to the issue of hydrogen bonds as key non-covalent interactions, conditioning the existence of living matter and determining the number of physicochemical properties of various materials. Since the role of FT-IR spectroscopy in the field of hydrogen bond research has great significance, a historical outline of the most important qualitative and quantitative hydrogen bond theories is provided. In addition, research on selected unconventional spectral effects resulting from the substitution of protons with deuterons in hydrogen bridges is presented. The state-of-the-art and originality of the current review are that it presents a combination of uses of FT-IR spectroscopy to explain the way molecules vibrate and the effects of those vibrations on macroscopic properties, hence practical applications of given substances.
本文讨论了在科学技术的各个领域的应用中，基于中（近）红外辐射的光谱方法发展的现状。作者关注了光谱学本身（ATR 技术）和化学计量学数据处理工具（PCA 和 PLS 模型）的一些非常重要的特定解决方案。本文的目的是收集和一致呈现关于傅里叶变换红外（FT-IR）光谱学各个方面的信息，FT-IR 不仅是一种众所周知和成熟的方法，而且还在不断发展。当前综述的创新之处在于展示了 FT-IR 的巨大多功能性，允许其应用解决和解释来自科学领域（例如氢键）和实际领域（例如技术过程、医学、环境保护和食品分析）的问题。特别关注氢键作为关键的非共价相互作用的问题，它决定了生命物质的存在并确定了各种材料的物理化学性质的数量。由于 FT-IR 光谱在氢键研究领域的作用具有重要意义，因此提供了最重要的定性和定量氢键理论的历史概述。此外，还介绍了由于质子被氘取代而在氢键中产生的选定非常规光谱效应的研究。当前综述的现状和新颖性在于，它展示了 FT-IR 光谱学的组合使用，以解释分子振动的方式以及这些振动对宏观性质的影响，从而实现了给定物质的实际应用。
