| Abstract: | Recently a new molecule, cyanomethamine, has been detected towards Sagittarius B2(N)(Sgr B2(N)). Studying the formation mechanisms of complex interstellar molecules is difficult. Hence,a theoretical quantum chemical approach for analyzing the reaction mechanism describing the formation of interstellar cyanomethamine through detected interstellar molecules and radicals(NCCN+H) is discussed in the present work. Calculations are performed by using quantum chemical techniques, such as Density Functional Theory(DFT) and M?ller-Plesset perturbation(MP2) theory with a 6-311G(d,p)basis set, both in the gas phase and in icy grains. The proposed reaction path(NCCN+H+H) has exothermicity with no barrier which indicates the possibility of cyanomethamine formation in the interstellar medium. |
