Изотопные эффекты в спектрах комплексов с водородными связями. Расчет колебательных спектров поглощения димеров (D-=SUB=-2-=/SUB=-CO)-=SUB=-2-=/SUB=- и D-=SUB=-2-=/SUB=-CO·sDF и тримеров D-=SUB=-2-=/SUB=-CO·s(DF)-=SUB=-2-=/SUB=- и (D-=SUB=-2-=/SUB=-CO)_2·sDF

The frequencies and intensities for the vibrational bands of absorption spectra hydrogen-bonded (D2CO)2 D2CO∙∙∙DF dimers, two D2CO∙∙∙(DF)2 trimers four (D2CO)2∙∙∙DF are calculated in MP2/aug-cc-pVTZ approximation with basis set superposition error taken into account. Anharmonic values spectral parameters were obtained using second-order perturbation theory. influence hydrogen bonds on was determined from comparison monomers, same approximation. data compared results previous calculations (H2CO)2 H2CO∙∙∙HF dimers H2CO∙∙∙(HF)2 (H2CO)2∙∙∙HF trimers. It shown that one trimer have significant binding energies strong bands, which makes them promising candidates detection by spectroscopic methods.