title: [Conformational analysis of 5-substituted uracil].
abstract: The high-resolution IR-spectra of 5-nitrouracil and 5-bromouracil isolated in Ar matrices at 11 K were obtained for the first time. The conformational structure of uracil 5-substituents--thymine, 5-bromouracil, 5-nitrouracil--is calculated by the molecular mechanics and quantum--chemical MINDO/3 methods. The possibility of thymine transition to nonplanar conformations is observed.
authors.forename: S G
authors.initials: SG
authors.lastname: Stepan'ian
authors.forename: E D
authors.initials: ED
authors.lastname: Radchenko
authors.forename: G G
authors.initials: GG
authors.lastname: Sheina
authors.forename: Iu P
authors.initials: IuP
authors.lastname: Vlagoĭ
mesh_terms: D001976:Bromouracil; D008968:Molecular Conformation; D013055:Spectrophotometry, Infrared; D014498:Uracil / Q000031:analogs & derivatives*
chemical_list: D001976:Bromouracil; D014498:Uracil; C057449:5-nitrouracil
vernacular_title: Konformatsionnyĭ analiz 5-zameshchennykh uratsila.