Journal
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
Volume 75, Issue 4, Pages 1329-1332Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.saa.2009.12.079
Keywords
Emission spectra; Melamine; Gaussian curves; DFT; Clusters
Categories
Funding
- Natural Science Foundation of Jiangsu Province Educational Committee
Ask authors/readers for more resources
Electronic emission spectral characteristics of melamine solution have been investigated by processing its steady-state emission spectrum with the second derivative method. It was found that the emission spectrum can be fitted into three separated Gaussian curves. The decay-associated emission spectra of lifetime iota(1) can be fitted to be one Gaussian curve, and that of lifetime iota(2) can be fitted into the other two Gaussian curves. These three Gaussian curves correspond to the steady-state emission spectral, showing that melamine has two fluorescent structures. The density functional theory (DFT) method was used to optimize the structures of the weak interaction clusters C3H6N6-(H2O)(n)(n=1-6). The structures of those clusters were obtained, and the energies of HOMO and LUMO were analyzed. It is found that the theoretical model C3H6N6-(H2O)(4) matches well with the experiment when the bonding number n is 4. (C) 2010 Elsevier B.V. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available