Fluorescence Spectroscopic and Time-Dependent Density-functional Theory Studies of Diphenylsilane

Bulletin of the Korean chemical society

Jae Kwang Lee¹  Bong Hyun Boo¹ 

关键词: Diphenylsilane;    Fluorescence excitation;    Time-dependent density-functional theory;    Oscillator strength;    Molecular beam;   

DOI  :  

学科分类：化学（综合）

来源: Korean Chemical Society

【 摘 要 】

We investigated fluorescence and fluorescence excitation of diphenylsilane (DPS) in a solution and molecular beams in combination with the aid of the DFT method. When the molecule was photoexcited at 250 nm in a cyclohexane solution, normal and excimer fluorescences were observed in the ranges of 260-320 and 330-450 nm, respectively. The fluorescence excitation spectrum indicates that the channel leading to the intramolecular excimer formation is not efficient in comparison with the normal fluorescence. Vibrationally resolved fluorescence excitation spectra were measured for the DPS molecules cooled in pulsed supersonic expansion of He in the range 262.2-271.7 nm, in which we can see several electronic excitation spectra exhibiting the electronic band origins. We found that the simulated absorption spectrum based on the time-dependent densityfunctional theory calculations accords well with the absorption spectrum.

【 授权许可】

Unknown