符号(数学)
发色团
圆二色性
振动圆二色性
口译(哲学)
分子
绝对构型
化学
手性(物理)
不对称
旋光色散
棉花效应
计算化学
理论物理学
化学物理
结晶学
物理
数学
立体化学
量子力学
计算机科学
有机化学
数学分析
Nambu–Jona Lasinio模型
手征对称破缺
夸克
程序设计语言
标识
DOI:10.1002/anie.197903631
摘要
Abstract Although chiroptical methods have been used in chemistry for some 150 years, and the basic theory was developed by Rosenfeld 50 years ago, their success in determining absolute conformation rests mainly on empirical rules. Some of these can be proved theoretically; however, in the case of more complex molecules this is not yet always possible. In what follows, an attempt is made to bridge the wide gap between theory and empiricism: “qualitative MO‐theory”, which has already been successfully used to explain reaction mechanisms, the shape of molecules, or photoelectron spectra, can also be applied to circular dichroism (CD). In general we shall have to be content with a reasonable interpretation of the experimentally determined sign correlation, but even this will be of great value since it can yield general relations between the geometry of molecules and the sign of CD. Such relations become particularly important when only a few examples of a given chromophore are known. If first and second sphere of a molecule are achiral then sector rules can be put forward, and in other cases helicity or chirality rules.
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