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

Urszula Szczepaniak; Robert Kołos; Marcin Gronowski; Michèle Chevalier; Jean-Claude Guillemin; Claudine Crépin

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

Abstract : 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.

Document type :

Journal articles

Domain :

Chemical Sciences

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