Matrix isolation and magnetic parameters of septet 3,5‐dicyanopyridyl‐2,4,6‐trinitrene
作者： Sergei V. Chapyshev , Patrik Neuhaus , Dirk Grote , Wolfram Sander
DOI: 10.1002/POC.1622
关键词: Nuclear magnetic resonance 、 Spectroscopy 、 Matrix isolation 、 Spectral line 、 Molecular physics 、 Density functional theory 、 Photodissociation 、 Chemistry 、 Zeeman energy 、 Electron paramagnetic resonance 、 Resonance
摘要: Septet 3,5-dicyanopyridyl-2,4,6-trinitrene was synthesized together with quintet 2-azido-3,5-dicyanopyridyl-4,6-dinitrene, 4-azido-3,5-dicyanopyridyl-2,6-dinitrene, triplet 2,6-diazido-3,5-dicyanopyridyl-4-nitrene, and 2,4-diazido-3,5-dicyanopyridyl-6-nitrene by photolysis of 2,4,6-triazido-3,5-dicyanopyridine in solid argon at 4 K. The electronic magnetic properties the matrix-isolated nitrenes were studied using electron paramagnetic resonance (EPR) spectroscopy combination density functional theory (DFT) calculations. fine-structure parameters determined high accuracy from spectral simulations. All signals EPR spectra nitrenes, randomly oriented phase, unambiguously assigned based on eigenfield calculations Zeeman energy levels angular dependences fields. Copyright © 2009 John Wiley & Sons, Ltd.
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