EPR spectroscopy of multicomponent, multispin molecular system obtained by the photolysis of 2,4,6-triazido-3-cyano-5-fluoropyridine in solid argon
© 2019 John Wiley & Sons, Ltd.
| Veröffentlicht in: | Magnetic resonance in chemistry : MRC. - 1985. - 57(2019), 8 vom: 20. Aug., Seite 472-478 |
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| Weitere Verfasser: | , , |
| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2019
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| Zugriff auf das übergeordnete Werk: | Magnetic resonance in chemistry : MRC |
| Schlagworte: | Journal Article Research Support, Non-U.S. Gov't EPR spectroscopy azides high-spin states matrix isolation nitrenes photolysis |
| Zusammenfassung: | © 2019 John Wiley & Sons, Ltd. Complex multicomponent, multispin molecular system, consisting of a septet trinitrene, two quintet dinitrenes, and three triplet mononitrenes, was obtained by the photolysis of 2,4,6-triazido-3-cyano-5-fluoropyridine in solid argon. To identify these paramagnetic products, electron paramagnetic resonance spectroscopy in combination with line-shape spectral simulations and density functional theory calculations was used. The products of the photolysis was found to be triplet 2,4-diazido-3-cyano-5-fluoropyridyl-6-nitrene (DT = 1.000 cm-1 , ET = 0), triplet 2,4-diazido-3-cyano-5-fluoropyridyl-2-nitrene (DT = 1.043 cm-1 , ET = 0), triplet 2,6-diazido-3-cyano-5-fluoropyridyl-4-nitrene (DT = 1.128 cm-1 , ET = 0 cm-1 ), quintet 4-azido-3-cyano-5-fluoropyridyl-2,6-dinitrene (DQ = 0.211 cm-1 , EQ = 0.0532 cm-1 ), quintet 2-azido-3-cyano-5-fluoropyridyl-4,6-dinitrene (DQ = 0.208 cm-1 , EQ = 0.0386 cm-1 ), and septet 3-cyano-5-fluoropyridyl-2,4,6-trinitrene (DS = -0.1017 cm-1 , ES = -0.0042 cm-1 ) in a 38:4:7:22:14:4 ratio, respectively |
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| Beschreibung: | Date Completed 17.09.2019 Date Revised 17.09.2019 published: Print-Electronic Citation Status PubMed-not-MEDLINE |
| ISSN: | 1097-458X |
| DOI: | 10.1002/mrc.4877 |