Acta Phys. -Chim. Sin. ›› 2012, Vol. 28 ›› Issue (03): 733-738.doi: 10.3866/PKU.WHXB201201131

• PHYSICAL CHEMISTRY OF MATERIALS • Previous Articles    

Efficient Blue Emission from Small-Molecule Organosilicon Monomer N-(3-Trimethoxysilylethyl)ethylenediamine

XU Zou-Ming, WANG Yu-Xia, DAI Peng, KONG Wei-Quan   

  1. CAS Key Laboratory of Materials for Energy Conversion, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei 230026, P. R. China
  • Received:2011-10-26 Revised:2012-01-05 Published:2012-02-23
  • Contact: WANG Yu-Xia E-mail:wyxm@ustc.edu.cn
  • Supported by:

    The project was supported by the National Natural Science Foundation of China (5067095).

Abstract: We investigated the electronic structure, photophysical properties, and thermal stability of N- (3-trimethoxysilylethyl)ethylenediamine (TMSEEDA). The optimized structural parameters in the ground state and first excited state were obtained from density functional theory calculations. The results showed that there was probably π electron delocalization within the Si-O skeleton, which induced the long wavelength absorption. A broad and intense blue emission with a maximum at 430 nm was observed for both the solution and the solid state with 270 nm excitation at room temperature. The absorption intensity for the solid state was five-times that of the pure TMSEEDA. For the ethanol solution, the photoluminescence intensity increased with increasing concentration of TMSEEDA and reached a maximum at a concentration of 100%. These results suggest there is no concentration quenching for TMSEEDA. An accepted model of electron delocalization and d-p π-bonding within the Si-O skeleton was applied to explain the long wavelength absorption and blue emission.

Key words: Photoluminescence, Density functional theory, d-p π-bonding model, Quenching, Mechanism

MSC2000: 

  • O641