Synthesis of New Bitopic Tetra(pyrazolyl)-Ligands with Neopentane and O-Xylene Backbones

Table 1

Relative energies of bis(bis(pyrazol-1yl)methyl)benzene derivatives.

Structure
Erel, kcal/mol	2.53	0
Structure
Erel, kcal/mol	4.81	0

Notes: Pz = pyrazol-1-yl; PzMe₂ = 3,5-dimethylpyrazol-1-yl; energies are computed at RI BP86 level of theory using TZVPP basis set.