title: [Raman, FTIR spectra and normal mode analysis of acetanilide].
abstract: The Raman and FTIR spectra of acetanilide (ACN) were measured experimentally in the regions of 3 500-50 and 3 500-600 cm(-1) respectively. The equilibrium geometry and vibration frequencies of ACN were calculated based on density functional theory (DFT) method (B3LYP/6-311G(d, p)). The results showed that the theoretical calculation of molecular structure parameters are in good agreement with previous report and better than the ones calculated based on 6-31G(d), and the calculated frequencies agree well with the experimental ones. Potential energy distribution of each frequency was worked out by normal mode analysis, and based on this, a detailed and accurate vibration frequency assignment of ACN was obtained.
authors.affiliation: College of Physics and Electronic Information, Luoyang Normal College, Luoyang 471022, China. huiqinliang@yeah.net
authors.forename: Hui-Qin
authors.initials: HQ
authors.lastname: Liang
authors.forename: Ya-Ping
authors.initials: YP
authors.lastname: Tao
authors.forename: Li-Gang
authors.initials: LG
authors.lastname: Han
authors.forename: Yun-Xia
authors.initials: YX
authors.lastname: Han
authors.forename: Yu-Jun
authors.initials: YJ
authors.lastname: Mo