Citation: WU Xiao-Jing, DAI Yun, ZHANG Nan, LI Jing. Analysis and Assignment of the Fluorescence Spectra of a Salt/Methanol System[J]. Acta Physico-Chimica Sinica, ;2011, 27(11): 2535-2540. doi: 10.3866/PKU.WHXB20111006 shu

Analysis and Assignment of the Fluorescence Spectra of a Salt/Methanol System

WU Xiao-Jing ^1, ,
DAI Yun ¹ ,
ZHANG Nan ¹ ,
LI Jing ²

1.
1. School of Chemical Engineering, Hefei University of Technology, Hefei 230009, P. R. China;
2. Institute for Geoanalysis of Anhui Province, Hefei 230001, P. R. China

Received Date: 17 June 2011
Available Online: 16 August 2011

Fluorescence spectra of CaCl₂, LiCl, and Ca(NO₃)₂ in methanol were investigated and the structures and excitation energy of possible clusters were optimized by density functional theory (DFT) and time-dependent (TD) DFT theory with B3LYP method. Experimental results indicate that CaCl₂ and LiCl are connected to methanol as clusters with od fluorescence properties. A strong increase in fluorescence intensity of CaCl₂ and LiCl solutions was observed upon increasing their concentrations. The interaction between Ca(NO₃)₂ and methanol causes the fluorescence quenching of methanol. The results of the theoretical calculation show that [CaCl(CH₃OH)_n]⁺ and LiCl(CH₃OH)_n clusters strengthen the fluorescence intensity of the salt methanol solution and the oscillator strength of NO₃^- and the methanol clusters is almost zero. This illustrates the fluorescence quenching phenomenon of the NO₃^- anion and methanol.
- Density functional theory,
- Salt/methanol cluster,
- Fluorescence quenching,
- Excitation wavelength
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