Raman Scattering Calculations and Investigations of Melamine
Melamine was used in foodstuff and feed industry as a feed additive occassionally. In this work, melamine geometry structure was optimized by density functional theory (DFT) method. Raman and infrared spectra was calculated based on MP2/6-31G sets and DFT/DGTIVP sets, then two theoretical Raman spectra were carefully compared with others experimental spectra, good agreements were obtained between the theoretical and experimental results. Melamine structure parameters were given also in the paper including bond lengths and bond angles. Vibrational modes were assigned to all bands between 550-4000cm-1 range. This work will benefit the measurement research of the content of melamine in foods.
Moran Guo Wenlian Ma Yu Ren Yu Zhang Xihe Zhang Hongxing Cai
IJRCNB Centers, Changchun University of Science and Technology, Changchun, China Science School, Changchun University of Science and Technology, Changchun, China
国际会议
长春
英文
1-7
2011-08-29（万方平台首次上网日期，不代表论文的发表时间）