investigation of the equilibrium parameters of vinyl cyanide as an astrochemical molecule using quantum calculations

Vinyl cyanide, a molecule with planar geometry, has been presented as a strong candidate, forming azotosomes on titan’s hydrocarbon-abundant lakes and seas. to further investigate the parameters of vinyl cyanide, three computational approaches dft, mp2,and ccsd(t) were implemented. the results with the highest accuracy concerning the experimental data presented in the literature and data obtained from atacama large millimeter/submillimeter array (alma) have been selected and presented.