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

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.
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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, American Chemical Society, 2018, 122 (25), pp.5580-5588. ⟨10.1021/acs.jpca.8b02700⟩. ⟨hal-01834002⟩

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