Vibrational spectroscopic study of cationic phosphorus dendrimers with aminoethylpiperidine terminal groups

Two generations of phosphoric dendrimers with piperidine functional groups were synthesized for use in biology and medicine. Neutral samples are soluble in organic solvents but after protonation these dendrimers become water soluble and can be used for biological experiments. The FTIR and FT Raman spectra of two generations of dendrimers G_i constructed from the cyclotriphosphazene core, repeating units OC₆H₄CHNN(CH₃)P(S)< and aminoethylpiperidine end groups NH(CH₂)₂C₅NH₁₁ were recorded. The study of the IR spectra shows that the NH groups form hydrogen bonds. The calculation of the molecular structure and vibrational spectra of the first generation dendrimer was performed by the method of DFT. This molecule has flat, repeating units and a plane of symmetry passing through the core. The calculation of the distribution of potential energy made it possible to classify the bands in the experimental spectra of dendrimers. Amine groups are manifested in the form of a band of NH stretching vibrations at 3389 cm^-1 in the IR spectrum of G₁. NH⁺ stretching bands located at 2646 and 2540 cm^-1 in the IR spectrum of G₂. The stretching vibrations of NH⁺ groups are noticeably shifted to low frequencies due to the formation of a hydrogen bond with the chlorine atom. The line at 1575 cm^-1 in the Raman spectrum of G₁ is characteristic for repeating units.