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首页> 外文期刊>Chimie Nouvelle >Predicting and Interpreting vibrational Raman Optical Activity of Helical Structures
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Predicting and Interpreting vibrational Raman Optical Activity of Helical Structures

机译：预测和解释螺旋结构的振动拉曼光学活性

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摘要

My PhD Thesis aimed at elaborating efficient quantum mechanical methods to simulatc and interpret vibrational Raman optical activity (VROA) spectra of large Systems investigated in lifc and materials science. The VROA spcctroscopy is a quite recent technique that enables to study the structures and properties of chiral molecules. It bclongs to optical activity phcnomena. Many absorption, emission, and scattering phenomena can display optical activity. At first, optical activity was associated with optical rotation, Le. the rotation of thc plane of polarization of a linearly polarized light beam. This phenomenon was discovered by Arago (1811) [1] in the form of colours in sunlight that had passed along the optical axis of a quartz crystal placed bctween crossed polarizers. Later, optical rotation in liquid and solution samples was evidenced. demonstrating that the optical activity must reside in the individual molecules. Hxamplcs of that arc the optical rotation measuremcnts of a solution of turpentinc (Biot 1815) [2], of alcoholic solutions of camphor, as wcll as of aqucous solutions of sugar and of tartaric acid.
机译：我的博士学位论文旨在阐述有效的量子力学方法，以模拟和解释在lifc和材料科学领域研究的大型系统的振动拉曼光学活性（VROA）光谱。 VROA光谱仪是一项非常新的技术，能够研究手性分子的结构和性质。它延伸到光学活性phcnomena。许多吸收，发射和散射现象可以显示光学活性。起初，光学活动与旋光度Le有关。线偏振光束的偏振面的旋转。这种现象是由Arago（1811）[1]以日光中的颜色形式发现的，该颜色已经穿过位于交叉偏振器之间的石英晶体的光轴。后来，证明了液体和溶液样品的旋光性。表明光学活性必须存在于单个分子中。其中的Hxamplcs是对松节油溶液（Biot 1815）[2]，樟脑醇溶液，糖和酒石酸水溶液的旋光度的测量。

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