Synthesis and Electronic Phosphorescence of Dicyanooctatetrayne (NCN) in Cryogenic Matrixes

Urszula Szczepaniak (1, 2) , Robert Kołos (2) , Marcin Gronowski (2) , Michèle Chevalier (1) , Jean-Claude Guillemin (3) , Claudine Crépin (1)

1 ISMO - Institut des Sciences Moléculaires d'Orsay
2 Institute of Physical Chemistry
3 ISCR - Institut des Sciences Chimiques de Rennes

The rodlike 1,8-dicyano-octa-1,3,5,7-tetrayne (NCN) molecule was synthesized with UV-assisted coupling of rare-gas matrix-isolated cyanobutadiyne (HCN) molecules. Detection of NCN molecule was possible due to its strong orange-red (origin at 618 nm) electronic luminescence. Excitation spectra of this emission (ã Σ-X̃ Σ phosphorescence) gave access to studying the fully allowed H̃ Σ-X̃ Σ UV system of NCN. The identification of observed spectral features was assisted with quantum chemical computations. Certain regularities shaping the electronic spectroscopy of NCN molecules have been discussed.

Domains: Chemical Sciences

Urszula Szczepaniak, Robert Kołos, Marcin Gronowski, Michèle Chevalier, Jean-Claude Guillemin, et al.. Synthesis and Electronic Phosphorescence of Dicyanooctatetrayne (NCN) in Cryogenic Matrixes. Journal of Physical Chemistry A, 2018, 122 (25), pp.5580-5588. ⟨10.1021/acs.jpca.8b02700⟩. ⟨hal-01834002⟩