Cryogenic photochemical synthesis and electronic spectroscopy of cyanotetracetylene published as part of the journal of physical chemistry virtual special issue "w. Lester S. Andrews Festschrift".

被引：0
|
作者：
Szczepaniak U. [1 ,2 ]
Kolos R. [2 ]
Gronowski M. [2 ]
Chevalier M. [1 ]
Guillemin J.-C. [3 ]
Turowski M. [2 ,4 ]
Custer T. [2 ]
Crépin C. [1 ]
机构：
[1] Institut des Sciences Moléculaires D'Orsay, UMR8214, CNRS Univ. Paris-Sud, Université Paris-Saclay, Orsay
[2] Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka, 44/52, Warsaw
[3] Institut des Sciences Chimiques de Rennes, École Nationale Supérieure de Chimie de Rennes, CNRS, UMR 6226, 11 Allée de Beaulieu, CS 50837, Rennes Cedex 7
[4] University of Colorado at Boulder, Department of Chemistry and Biochemistry, 215 UCB, Boulder, 80309-0215, CO
来源：
Szczepaniak, Urszula (uszczepaniak@ichf.edu.pl) | 1600年 / American Chemical Society卷 / 121期
关键词：
Cryogenics;
D O I：
10.1021/acs.jpca.7b07849
中图分类号：
学科分类号：
摘要：
HC9N is a molecule of astrochemical interest. In this study, it was produced in cryogenic Ar and Kr matrices from UV-photolyzed diacetylene/cyanodiacetylene mixtures. Its strong phosphorescence was discovered and served for the identification of the compound. Vibrationally resolved phosphorescence excitation spectra gave insight into excited singlet electronic states. Two electronic systems were observed around 26 000- 34 000 cm-1 and 35 000-50 000 cm-1. Energies of the second excited singlet and the lowest triplet state were derived from analysis of these systems. Vibrational and electronic spectroscopic features were assigned with the assistance of density functional theory calculations. Some trends concerning the electronic spectroscopy of HC2n+1N family molecules are presented. © 2017 American Chemical Society.
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页码：7374 / 7384
页数：10
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