Fig. 2: Crystal structure and analysis of cry-YG and cry-O. | Nature Communications

Fig. 2: Crystal structure and analysis of cry-YG and cry-O.

From: Revealing the excited-state mechanisms of the polymorphs of a hot exciton material

Fig. 2: Crystal structure and analysis of cry-YG and cry-O.

a Molecular interaction and overlaps of the F-AQ dimers extracted cry-YG and cry-O (Hydrogen atoms were hidden for clarity). b Hirshfeld surface analysis and the proportions of intermolecular HH, CH, OH, CC, CO, and OO and other interactions to the total intermolecular interactions based on their crystal structures. c Electron-hole distribution of cry-YG and cry-O (The yellow isosurface represents for electron and pink isosurface represents for hole, isovalue = 0.003).

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