Ergan, ErdemSeker, NurullahAkbas, Begum CaglaAkbas, Esvet2025-05-102025-05-1020220352-513910.2298/JSC210419067G2-s2.0-85132715053https://doi.org/10.2298/JSC210419067Ghttps://hdl.handle.net/20.500.14720/14362In this work, we wanted to define a general and comprehensive strategy for the synthesis of tetrazolo[1,5-a]pyrimidine derivatives. For this purpose, we obtained new tetrazolo[1,5-a]pyrimidine molecules via the mercury-promoted desulfurization reaction, including hydrolysis, cyclizations, and eliminations. All of the molecules were characterized by FT-IR, H-1-NMR, C-13-NMR, and elemental analysis. On the other hand, the potentials of compounds as corrosion inhibitors were calculated at B3LYP/6-31G (d, p) level via density functional theory (DFT).eninfo:eu-repo/semantics/openAccessDesulfurizationDftCharacterizationQuantum Chemical StudiesSodium Azide5Article875Q4Q3575587WOS:000777333700001