|Table of Contents|

Synthesis and Quantum Chemistry Study of Two Fluorescent Dyes

《南京理工大学学报》(自然科学版)[ISSN:1005-9830/CN:32-1397/N]

Issue:
2011年06期
Page:
867-872
Research Field:
Publishing date:

Info

Title:
Synthesis and Quantum Chemistry Study of Two Fluorescent Dyes
Author(s):
SHI Wen-yan12 LV Zhi-min1LEI Wu2XIA Ming-zhu2WANG Feng-yun2 ZHANG Qi-ping3ZHANG Yue-hua3
1. Chemical and Biological Engineering College,Yancheng Institute of Technology,Yancheng 224051,China; 2. Institute of Industrial Chemistry,NUST,Nanjing 210094,China; 3. College of Chemistry and Chemical Engineering,Nantong University,Nantong 226007,China
Keywords:
fluorescent dyes spectrum quantum chemistry excitation wavelength emission wavelength time-dependent density function theory
PACS:
TQ617. 3
DOI:
-
Abstract:
To study the luminescence mechanism of fluorescent dyes, two different substituted 1,8 -naphthaline fluorescent dyes are synthesized using 4-bromo-1,8 -naphthalic anhydride and 2-dimethylaminoethylamine. The structures are characterized by mass spectrometry( MS) and nuclear magnetic resonance hydrogen spectrum( 1H NMR) and the excitation spectrum and emission spectrum are investigated. The structures in time-dependent density function theory at the B3LYP/6-31G( d) level. The calculated results indicate that electronic transition of such substances from ground states to excited states originates from the electronic transition from atoms outside the ring to the three six-membered rings and the wavelength of the excited and emission spectra have good agreement with the experimental data.ground state are optimized using density function theory. At the same time, the molecular structures of the first singlet excited state are optimized by single-excitation configuration interaction CIS/ 6-31G( d) . The excitation and emission wavelength based on the above structures are obtained by the

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Last Update: 2012-10-25