Chemical Structure from Scientific Research

StrainViz representation of the distribution of strain inc-P18b.6Strain energies were calculated using XTB as implemented in ORCA 5.0; see Supporting Information for details. The color bar was chosen to best visualize strain in the porphyrins andmeso-mesobonds. The strain in the butadiynes (1.92.1 kJ mol-1) is off this scale.

DOI