Charge densities from high-resolution synchrotron X-ray diffraction experiments.
Charge densities from high-resolution synchrotron X-ray diffraction experiments.
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来自高分辨率同步加速器 X 射线衍射实验的电荷密度。
DOI：
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发表时间：
2000
影响因子：
2.5
通讯作者：
K. Woźniak
中科院分区：
文献类型：
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作者：
P. Mallinson;G. Barr;S. Coles;T. N. Guru Row;D. Macnicol;S. Teat;K. Woźniak
强X射线源，特别是同步辐射，与面探测器技术相结合，在通过单晶高分辨率X射线衍射进行电荷密度分析的实验条件方面取得了巨大的进步。这样的实验现在可以在数小时而不是数周的时间内进行。对这些实验的一些特点进行了检验，并报道了2-羟基-5-硝基苯甲醛N-环己基亚胺（1）、八（间甲苯硫基）萘（2）和7-氟-4-苯乙烯基香豆素（3）的电荷密度研究的初步结果。发现（1）和（3）晶体中的弱相互作用具有相似的电荷密度特性。（2）的晶格中的笼具有复杂的电荷分布。
The combination of intense X-ray sources, especially synchrotron radiation, with area-detector technology has accomplished an enormous advance in the experimental conditions available for charge-density analysis by single-crystal high-resolution X-ray diffraction. Such experiments can now be carried out in a time measured in hours rather than weeks. Some features of these experiments are examined and preliminary results are reported for charge-density studies of 2-hydroxy-5-nitrobenzaldehyde N-cyclohexylimine (1), octakis(m-tolylthio)naphthalene (2), and 7-fluoro-4-styrylcoumarin (3). Weak interactions in crystals of (1) and (3) are found to have similar charge-density characteristics. Cages in the crystal lattice of (2) have a complex charge distribution.
DOI：
10.1107/s0108767394005726
发表时间：
1995-01-01
期刊：
ACTA CRYSTALLOGRAPHICA SECTION A
影响因子：
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作者：
BLESSING, RH
通讯作者：
BLESSING, RH