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Low Temperature Synthesis and Phosphorescence of Methylcyanotriacetylene
The Journal of Physical Chemistry A ( IF 2.9 ) Pub Date : 2017-12-29 00:00:00 , DOI: 10.1021/acs.jpca.7b09728
Urszula Szczepaniak 1, 2 , Robert Kołos 2 , Marcin Gronowski 2 , Jean-Claude Guillemin 3 , Claudine Crépin 1
Affiliation  

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.

中文翻译:

甲基氰基三乙炔的低温合成和发磷光

本文报道了通过低温前驱体丙炔和氰基二乙炔的偶合,在低温稀有气体基质中进行的紫外线激发的甲基氰基三乙炔的合成。检测由于强烈的可见是可能的3 A'→X 11的CH磷光3 Ç 7 N,在该工作过程中发现的。电子光谱的随后的测量显示在正式禁止乙1 E-X 11系统,以及允许一个E 11 -X 11,其原点分别约为3.32和5.4 eV。还可以重新研究与标题光产物平行形成的氰基三乙炔HC 7 N的光谱表征。光谱分配得到密度泛函理论研究的协助。
更新日期:2017-12-29
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