X光繞射相位問題的解決方法

王素蘭

《化學》 47卷2期 (1989/06) Pp. 153-162

https://doi.org/10.6623/chem.1989022

並列摘要

Ever since the discovery of X-ray dif fraction by Max von Laue in 1912, it has been recognized that there is serious obstacle to determine the structure of a crystal from its X-ray diffraction pattern: While it is not at all difficult to measure the intensity of the diffracted beam, it is not at all clear to measure its phase. This constitutes the phase problems in crystallography. The earliest attempts to solve the phase problem were by trial-and-error methods. The following Patterson function not only provided an important new tool for structure analysis but indicated that, in principle at any rate, the data alone were capable of giving the structure. Direct methods are class of methods which attempt by mathematical means to derive the phases of the structure using only the intensity information. In this report, the basic principles and recent development of both Patterson methods and Direct methods are reviewed.