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21.
DFT (B3PW91) and CASSCF calculations have been carried out to study the relative α migratory abilities of H and F in alkyl transition metal complexes. It is shown that the activation energy is considerably lower to migrate H than F, whereas the energies of reaction are similar for the two reactions. A study of the electron configurations and the orbitals describing these configurations shows that the high activation energy for F is due to a 4-electron repulsion between an F lone pair and the occupied Ru=C π orbital. 相似文献
22.
JOAQUÍN BARBERA´ RAQUEL GIME´NEZ NE´LIDA GIMENO MERCEDES MARCOS MARIA DEL CARMEN PINA JOSE´ LUIS SERRANO 《Liquid crystals》2013,40(6):651-661
Copper and palladium complexes of new salicylaldimines derived from 3,4,5-tridecyloxyaniline, 2,3,4-tridecyloxyaniline and 4-decyloxyaniline have been synthesized and characterized. All the ligands bear four or more aliphatic chains with the aim of inducing columnar mesophases at low temperatures. In particular, metal complexes derived from 4-(3,4,5-tridecyloxybenzoyloxy)-salicyliden-3,4,5-tridecyloxyaninile display rectangular columnar mesophases at (or near) room temperature. These mesophase assignments have been confirmed by X-ray diffraction. A significant decrease of the melting points of the compounds is observed in the tridecyloxyaniline derivatives compared with those of similar complexes derived from mono- or di-decyloxyaniline. 相似文献