Role of the “Weakest Link” in a Pressure-Driven Phase Transition of Two Polytypic Polymorphs

• DOI: 10.1021/acs.cgd.5b01690
• Publication Date: 2016-03-25T17:07:17Z
• Authors: Ivan Kodrin; Željka Soldin; Christer B. Aakeröy; Marijana Đaković
• Keywords: Link (geometry)

A detailed comparison of two polytypic polymorphs bis-(2-aminopyrazine) di-iodocadmium(II), using a combination theory and experiment, reveals how the relative stabilities forms can be linked in very precise manner to subtle differences intermolecular interactions structures. versatile practical workflow for examining closely related is presented, physical properties are rationalized against details structural landscape that evolved during this investigation. The possible role relatively weak hydrogen-bond promoting facilitating polymorphic behavior coordination complexes general examined further data mining.