Investigations Of Intramolecular And Intermolecular Noncovalent Interactions On Alkaline Earth Metal Complexes of –OC(Ph)(CF3)2

Above: The most-stable gas-phase configuration (1a, two views shown) exhibits π···H THF interactions (shown in gold) and F···H interactions (shown in green). The next most stable configurations (1c, shown as representative) exhibit a significant π···π interaction (shown in purple) and F···H interactions. In the higher energy configurations most similar to the crystal structure (crystal), there ……