Do Xylylenes Isomerize in Pyrolysis?

被引：4

作者：

Hirsch, Florian ^{[1
]}

Pachner, Kai ^{[1
]}

Fischer, Ingo ^{[1
]}

Issler, Kevin ^{[1
]}

Petersen, Jens ^{[1
]}

Mitric, Roland ^{[1
]}

Bakels, Sjors ^{[2
]}

Rijs, Anouk M. ^{[2
]}

机构：

[1] Univ Wurzburg, Inst Phys & Theoret Chem, D-97074 Wurzburg, Germany

[2] Radboud Univ Nijmegen, Inst Mol & Mat, FELIX Lab, Toernooiveld 7, NL-6525 ED Nijmegen, Netherlands

来源：

CHEMPHYSCHEM | 2020年 / 21卷 / 14期

基金：

欧盟地平线“2020”;

关键词：

biradicals; high-temperature chemistry; IR spectroscopy; pyrolysis; xylylene; BASIS-SETS; SPECTRA; STYRENE; DIMERIZATION; RADICALS; PRODUCT; SINGLE; STATES;

D O I：

10.1002/cphc.202000317

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We report infrared spectra of xylylene isomers in the gas phase, using free electron laser (FEL) radiation. All xylylenes were generated by flash pyrolysis. The IR spectra were obtained by monitoring the ion dip signal, using a IR/UV double resonance scheme. A gas phase IR spectrum of para-xylylene was recorded, whereas ortho- and meta-xylylene were found to partially rearrange to benzocyclobutene and styrene. Computations of the UV oscillator strength for all molecules were carried out and provde an explanation for the observation of the isomerization products.

引用

页码：1515 / 1518

页数：4

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