所属单位：化学与生命科学学院
教研室：化学教研室
发表刊物：Chemical Physics Letters
项目来源：自选课题
摘要：Two series of platinum(II) complexes with triarylboron/triarylnitrogen-functionalized N-heterocycliccarbene chelate ligands have been theoretically investigated by using the density functional theory(DFT) and time-dependent DFT (TDDFT) methods. The influence of different substituents (triarylboron-functionalized or triarylnitrogen-functionalized) on the electronic structure and optical properties ofPt(II) complexes was also explored. The results reveal that the different substituents can influence theelectron density distributions of frontier molecular orbitals and their energies, resulting in the change oftransition character and emission color. The designed complex 1b and 1d are considered to be a potentialcandidate as deep blue-emitting material.
第一作者：尚小红
论文类型：期刊论文
页面范围：1
是否译文：否
发表时间：2015-07-09