Cyanoacetylene (HC3N) and ammonia (NH3) complexes: A DFT theoretical and experimental study

► Identification of the complex between HC3N and NH3 molecules. ► FTIR spectroscopy and quantum chemistry computations are used in the study. ► Study reveals the presence of only one complex in argon matrix. ► This pre-reaction states can leads to route to the aminoacrylonitrile synthesis.