Abstract (english) | The Shared electrons – Transferred electrons (S-T) scatterplot is a simple way to map chemical bonds and classify them, in which S and T represent the number of shared and transferred electrons per bond, respectively. In this paper, nature, structure and properties of the S-T scatterplot are studied, and its usability is tested. The literature on chemical bonds supports the natural need for extending the known forms of the S-T scatterplot to bonds with high (towards the maximum of 6) and low (towards zero) bond orders. For this purpose, an extensive search was performed in literature, and an S-T database with bond classification was generated. In total, 2,224 database entries were obtained for 20 bond types: metavalent, metallic, ionic, single covalent, resonant 1-2, double, resonant 2-3, triple, quadruple, quintuple, sextuple, hypervalent, hypovalent, π-complex, through-space, van der Waals, weak, hydrogen and the charge-transfer bond, and weak interaction. The resulting S-T scatterplot was analyzed graphically and statistically. A limiting curve was found to enclose the S-T space together with the coordinate axes. Because of its complexity, the S-T scatterplot has to be analyzed and used in parts, which are as follows: the central (typical bonds) and upper parts (single and multiple bonds), special bond types, and the weak bond types. Several pairs of neighbouring bond types (11) exhibit statistically significant or borderline significant diferences in terms of centroids distance, when tested with a two-dimensional Student test. Several bond types (14) have linear regression lines, out of which 8 have statistically significant or borderline significant slopes. The metallic, metavalent, single covalent, and ionic divalent and trivalent bonds have negative slopes. In other cases, mostly for multiple bond types, slopes are positive due to statistical and computational reasons. The S-T scatterplot may easily be used for a correct assignment of bond type to a new bond, as illustrated for examples from the test set. The S-T scatterplot is a continuum of bond types, which corroborates with the modern understanding of the chemical bond. The S-T scatterplot is useful for the chemical bond concept, and should therefore be studied further. |