Abstract:Background and Objectives: The objects of this study are gold nanoclusters and nucleic acid bases. The aim of the work is to study the interaction of gold plates, for which gold neutral flat 2D clusters ($n$ = 10) were selected, with canonical and rare tautomeric forms of nucleic acid bases (BNA), as well as complementary pairs of Ade-Thy and Gua-Cyt. Materials and Methods: Calculations of the structure and vibrational spectra have been performed by the DFT method using the Gaussian-09 program. Results: The different character of interaction of gold Au$_{10}$ nanoclusters with rare forms of nucleic acid bases has been observed. Conclusion: This feature leads to the formation of covalent bonds between them, which makes it possible to block or limit the uncontrolled process of DNA formation from non-canonical forms.
Keywords:gold clusters, nucleic acid bases, canonical and rare forms, hydrogen and covalent bond energy, IR spectra.