T. Guo
2010
Citations
0
Influential Citations
0
Citations
Journal
Journal of Sichuan Normal University
Abstract
N-(4-aminophenyl) maleimide is a novel synthesized NPMI compounds.The geometric structure of N-(4-aminophenyl) maleimide molecule was optimized.The frequency and thermodynamic properties of N-(4-aminophenyl) maleimide molecule were calculated at B3LYP/6-311+G level,its IR spectrum,Raman spectrum and thermodynamic properties at different temperatures were obtained.The result shows that the N on the amino(—NH2) in the molecule produces a dihedral angle about 177.7° with the six-menbered ring,the five-membered ring and hexatomic ring plane form a perpendicular configuration about 90°,the total molecule structure has no symmetry;there are good function relation formula between the temperature and the thermodynamic properties such as heat capacity,entropy and enthalpy.