[Conformational analysis of 5-substituted uracil].
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.
Stepan'ian
S G
SG
Radchenko
E D
ED
Sheina
G G
GG
Vlagoĭ
Iu P
IuP
D001976:Bromouracil; D008968:Molecular Conformation; D013055:Spectrophotometry, Infrared; D014498:Uracil / Q000031:analogs & derivatives*
D001976:Bromouracil; D014498:Uracil; C057449:5-nitrouracil
Konformatsionnyĭ analiz 5-zameshchennykh uratsila.