Shape and symmetry of heptacoordinate transition-metal complexes: Structural trends
Shape and symmetry of heptacoordinate transition-metal complexes: Structural trends
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DOI：
10.1002/chem.200390145
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发表时间：
2003-03-17
影响因子：
4.3
通讯作者：
Alvarez, S
中科院分区：
文献类型：
--
作者：
Casanova, D;Alemany, P;Alvarez, S
利用配位球的连续对称性和形状测度分析了七配位过渡金属配合物的立体化学。七配位通过过渡金属系列的分布是基于结构数据库搜索，包括有机金属和沃纳型分子络合物，金属蛋白质，和扩展固体。最常见的多面体似乎是五角双锥，而不同的偏好被发现为特定的家庭的化合物，如在与三个或四个羰基或膦配体的配合物，这更喜欢帽八面体或帽三棱柱，而不是五角，双锥。七配位的对称性地图，并示出有助于检测立体化学的趋势。三个最常见的多面体之间的最大对称性相互转换的途径定义的对称常数和大量的实验结构被认为是沿着这些路径下降沿着。
The stereochemistries of heptacoordinate transition-metal complexes are analyzed by using continuous symmetry and shape measures of their coordination spheres. The distribution of heptacoordination through the transition-metal series is presented based on structural database searches including organometallic and Werner-type molecular complexes, metalloproteins, and extended solids. The most common polyhedron seems to be the pentagonal bipyramid, while different preferences are found for specific families of compounds, as in the complexes with three or four carbonyl or phosphine ligands, which prefer the capped octahedron or the capped trigonal prism rather than the pentagonal, bipyramid. The symmetry maps for heptacoordination are presented and shown to be helpful for detecting stereochemical trends. The maximal symmetry interconversion pathways between the three most common polyhedra are defined in terms of symmetry constants and a large number of experimental structures are seen to fall along those paths.