对称性和形状是分子结构以及我们如何解释分子及其性质的重要方面。我们,作为化学家,对结构的图形表示很满意,其中丢失了一些细微差别-通过观察分子形状与参考的拟合程度进行数值研究,比如飞机,或一组向量或坐标,信息丰富,虽然远没有参与。化学结构和导出值之间的关系通常是模糊的。我们的灵感来自PietMondrian\的作品,我们已经将3D数据中编码的对称信息描述为颜色块,清楚地表明化学参数和由此产生的分子畸变可能有助于对称性。伟大的艺术给了我们一个新的世界视角。这种艺术可以让我们看到熟悉的分子,比如卟啉,在一个新的光,了解它们的形状和属性是如何交织在一起的。
Symmetry and shape are essential aspects of molecular structure and how we interpret molecules and their properties. We, as chemists, are comfortable with pictorial representations of structure, in which some nuance is lost-investigating molecular shape numerically by looking at how closely it fits a reference, such as a plane, or a set of vectors or coordinates, is informative, though far from engaging. Often relationships between chemical structure and derived values are obscured. Taking our inspiration from Piet Mondrian\'s Compositions, we have depicted the symmetry information encoded within 3D data as blocks of color, to show clearly how chemical arguments and resultant molecular distortion may contribute to symmetry. Great art gives us a new perspective on the world; as a pastiche, this art may allow us to look at familiar molecules, such as porphyrins, in a new light, understanding how their shape and properties are intertwined.