view article

Figure 6
Electron density at (3,−1) CPs between DDQ radicals for VT datasets as a function of temperature. Intra-dimer (contact A) CPs are shown as full symbols (experimental data) and open symbols (theoretical data), and inter-dimer CPs (contact B) as crosses (only experimental data, for clarity). Electron density in the intra-dimer (3,+3) cage CP is displayed as yellow circles. Trend lines drawn for intra-dimer CPs are intended as guides to the eye only (full lines: experimental, dashed lines: theoretical). Data from the high-resolution study (Milašinović et al., 2020BB47) at 100 K are shown as larger symbols.

Volume 8| Part 4| July 2021| Pages 644-654
ISSN: 2052-2525