二氰辛炔（NCN）在低温基质中的合成与电子磷光。
Synthesis and Electronic Phosphorescence of Dicyanooctatetrayne (NCN) in Cryogenic Matrixes.
机构信息
Institut des Sciences Moléculaires d'Orsay (ISMO) , UMR8214, CNRS, Univ. Paris-Sud, Université Paris-Saclay , F-91405 Orsay , France.
Institute of Physical Chemistry , Polish Academy of Sciences , Kasprzaka 44/52 , 01-224 Warsaw , Poland.
出版信息
J Phys Chem A. 2018 Jun 28;122(25):5580-5588. doi: 10.1021/acs.jpca.8b02700. Epub 2018 Jun 18.
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.
棒状的 1,8-二氰基-辛-1,3,5,7-四炔（NCN）分子是通过稀有气体基质分离的氰基丁二炔（HCN）分子的 UV 辅助偶联合成的。由于其强烈的橙红色（起源于 618nm）电子发光，因此可以检测到 NCN 分子。这种发射的激发光谱（ã Σ-X̃ Σ 磷光）使我们能够研究 NCN 的完全允许的 H̃ Σ-X̃ Σ UV 系统。通过量子化学计算辅助确定了观察到的光谱特征。讨论了形成 NCN 分子电子光谱的某些规律。
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