Аннотация:The accurate equilibrium structures of two planar conformers of orotic acid, anti and syn, differing in the positions of the carboxylic group with respect to the C=C bond in the uracil ring were determined from gas-phase electron diffraction data using the dynamic model and taking into account anharmonic vibrational corrections calculated with ab initio force field. High accuracy of coupled-cluster computations was exploited in the analysis of structural effects due to the influence of electron-acceptor substituents.
