Low Temperature Synthesis and Phosphorescence of Methylcyanotriacetylene

This paper reports on UV-stimulated synthesis of methylcyanotriacetylene carried out in cryogenic rare gas matrixes via coupling of smaller precursors: propyne and cyanodiacetylene. The detection was possible due to the strong visible ã ³A' → X̃ ¹A₁ phosphorescence of CH₃C₇N, discovered in the course of this work. The ensuing measurements of electronic spectroscopy revealed the formally forbidden B̃ ¹E-X̃ ¹A₁ system, as well as the allowed one Ẽ ¹A₁-X̃ ¹A₁, with origins at approximately 3.32 and 5.4 eV, respectively. It was also possible to revisit the spectroscopic characterization of cyanotriacetylene, HC₇N, formed in parallel to the title photoproduct. Spectral assignments were assisted with a density functional theory study.