Is there a quantum definition of a molecule?
Is there a quantum definition of a molecule?
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DOI：
10.1023/a:1019144518901
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发表时间：
1998-01-01
影响因子：
1.7
通讯作者：
Woolley, RG
中科院分区：
文献类型：
--
作者：
Woolley, RG
本文概述了化学如何在过去两个世纪的发展，从拉瓦锡的分类化学元素在十八世纪结束，随后的发展的原子分子模型的物质全神贯注的化学家在整个十九世纪，而结果的应用量子理论的分子模型一直是这个世纪的故事。物理化学起源于19世纪，它测量化学家们认为是族的化合物的物理性质，而化学物理学的目标是用物理学的原理和理论解释化学的事实。这样的化学物理学只有在20世纪20年代量子理论发现后才有可能。到那时，第一个亚原子粒子已经被发现，似乎不再可能纯粹从原子和分子的角度来讨论化学事实-人们必须认识到电子和原子核，原子的组成部分。经典分子结构与电子的量子性质的结合，给了我们一个非常成功的化学解释，称为“量子化学”。然而，从量子理论的角度来看，化学的最深处，即化学异构体的存在和使其合理化的分子结构的概念，仍然是化学物理学的中心问题。
The paper surveys how chemistry has developed over the past two centuries starting from Lavoisier's classification of the chemical elements at the end of the eighteenth century; the subsequent development of the atomic-molecular model of matter preoccupied chemists throughout the nineteenth century, while the results of the application of quantum theory to the molecular model has been the story of this century. Whereas physical chemistry originated in the nineteenth century with the measurement of the physical properties of groups of chemical compounds that chemists identified as families, the goal of chemical physics is the explanation of the facts of chemistry in terms of the principles and theories of physics. Chemical physics as such was only possible after the discovery of the quantum theory in the 1920's. By then the first of the sub-atomic particles had been discovered and seemingly it is no longer possible to discuss chemical facts purely in terms of atoms and molecules - one has to recognize the electron and the nucleus, the parts of atoms. The combination of classical molecular structure with the quantum properties of the electron has given us a tremendously successful account of chemistry called 'quantum chemistry'. Yet from the perspective of the quantum theory the deepest part of chemistry, the existence of chemical isomers and the very idea of molecular structure that rationalizes it, remains a central problem for chemical physics.