Structural Landscape on the Gas Phase of Novel Aryl-bridging Organosiloxanes

Abstract

Novel aryl-bridging organosiloxanes are modeled and examined theoretically in the gas phase. Three substituents (phenyl, biphenyl and biphenyl ether) are introduced to siloxane to design precursors (Pr1, Pr2 and Pr3) for making polysiloxanes. Pr1 has a very symmetric structure and the aryl ring can help electron transfer though the conjugated bond, Pr2 has a non-conjugated electron delocalized structure, which may reduce the ability delivering electron. Despite the non-plane structure, Pr3 is likely to own a favorable structure for electron transferring with the help of oxygen, which may help this type of materials to improve the dielectric properties.