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红外和拉曼振动光学活性:理论与实验方面

Infrared and Raman vibrational optical activity: theoretical and experimental aspects.

作者信息

Nafie L A

机构信息

Department of Chemistry, Syracuse University, New York 13244-4100, USA.

出版信息

Annu Rev Phys Chem. 1997;48:357-86. doi: 10.1146/annurev.physchem.48.1.357.

Abstract

Advances in the field of vibrational optical activity (VOA) are reviewed over the past decade. Topics are surveyed with an emphasis on the theoretical and instrumental progress in both vibrational circular dichroism (VCD) and Raman optical activity (ROA). Applications of VOA to stereochemical and biological problems are reviewed, with a bias toward new kinds of experiments made possible by theoretical and instrumental advances. In the field of VCD, the most notable advances have taken place in the quality and size of ab initio calculations of VOA intensities and in the quality of step-scan Fourier transform instrumentation. For ROA, the most dramatic progress has occurred in the areas of theoretical formulation and high-throughput instrumentation. Applications of VOA now include all major classes of biological and pharmaceutical molecules. VOA's importance as a diagnostic tool will likely grow as the control of molecular chirality increases in research and industrial areas.

摘要

本文综述了过去十年振动光学活性(VOA)领域的进展。文章对该领域的主题进行了调查,重点关注振动圆二色性(VCD)和拉曼光学活性(ROA)在理论和仪器方面的进展。回顾了VOA在立体化学和生物学问题中的应用,重点介绍了由于理论和仪器进步而得以开展的新型实验。在VCD领域,最显著的进展体现在VOA强度的从头算质量和规模以及步进扫描傅里叶变换仪器的质量方面。对于ROA而言,最显著的进展发生在理论公式和高通量仪器领域。VOA的应用目前涵盖了所有主要类别的生物和药物分子。随着研究和工业领域对分子手性控制的增加,VOA作为一种诊断工具的重要性可能会不断提高。

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