... their orientation at an angle of about 60° relative to the long axis of the core increase the lateral packing volume of the ... phenyl group inert to the chosen oxidative coupling conditions (1:1 mixture of VOF 3 and BF 3 •Et 2 O ... Based on DFT calculations (B3LYP/6-31g(d,p)) in vacuum ...
[Braken-van Leersum, A. M. van den; Tintel, C.; Zelfde, M. van't; Cornelisse, J.; Lugtenburg, J. Recueil des Travaux Chimiques des Pays-Bas, 1987 , vol. 106, # 4 p. 120 - 128]