Literature DB >> 18576627

Diarylnitroxide diradicals: low-temperature oxidation of diarylamines to nitroxides.

Andrzej Rajca1, Matthew Vale, Suchada Rajca.   

Abstract

A low temperature method, in which the progress of the oxidation of secondary diarylamines with DMDO at low temperatures is monitored by magnetic resonance spectroscopy (EPR and NMR) and magnetic studies by a Superconducting Quantum Interference Device (SQUID), is developed for preparation of the first m-phenylene based diarylnitroxide diradical. EPR spectroscopy and magnetic studies (SQUID) indicate that the diradical in the dichloromethane matrix predominantly adopts anticonformation ( 2A-anti) and possesses triplet ground state. Similar oxidation experiments for conformationally constrained aza[1 4]metacyclophane provide evidence for the formation of small amounts of the corresponding diarylnitroxide diradical. Both diarylnitroxide diradicals could only be detected at low temperatures (-80 degrees C and below).

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Year:  2008        PMID: 18576627     DOI: 10.1021/ja8016335

Source DB:  PubMed          Journal:  J Am Chem Soc        ISSN: 0002-7863            Impact factor:   15.419


  2 in total

1.  Diarylamine/diarylnitroxide cycle: quantum chemical and electrochemical estimation.

Authors:  Oleg A Levitskiy; Vyacheslav V Sentyurin; Tatiana V Magdesieva
Journal:  Heliyon       Date:  2019-11-01

2.  Extension of the AMBER Force Field for Nitroxide Radicals and Combined QM/MM/PCM Approach to the Accurate Determination of EPR Parameters of DMPO-H in Solution.

Authors:  Laura Hermosilla; Giacomo Prampolini; Paloma Calle; José Manuel García de la Vega; Giuseppe Brancato; Vincenzo Barone
Journal:  J Chem Theory Comput       Date:  2013-07-15       Impact factor: 6.006

  2 in total

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