title: Vibrational spectra study of the isomerizational reaction of nitryl hydride.
abstract: The vibrational spectral study of the isomerization reaction of nitryl hydride is presented in this paper. The isomerizational reaction includes old bond rupture, new bond formation and electronic transfer in the intramolecule. For the isomerizational reaction, the vibrational modes, the vibrational frequencies and the force constants of the reactant, the transition states and product are analyzed. The relationship and the change among them can confirm the rupture of bond, the formation of bond and the process of electron transfer.
authors.affiliation: Department of Chemistry, Qufu Normal University People's Republic of China. zhengyu@qfnu.edu.cn
authors.forename: Z
authors.initials: Z
authors.lastname: Zhou
authors.forename: W
authors.initials: W
authors.lastname: Zhao
authors.forename: H
authors.initials: H
authors.lastname: Fu
authors.forename: X
authors.initials: X
authors.lastname: Zhou
authors.forename: L
authors.initials: L
authors.lastname: Chen
authors.forename: Q
authors.initials: Q
authors.lastname: Yu
mesh_terms: D007536:Isomerism; D013058:Mass Spectrometry; D008968:Molecular Conformation; D009573:Nitrites / Q000032:analysis*; D014732:Vibration
chemical_list: D009573:Nitrites; C455101:nitryl hydride