Integrated experimental and computational spectroscopy study on the protonation of the α-nitronyl nitroxide radical unit

被引:7
|
作者
Puetz, Anna-Maria [2 ]
Schatzschneider, Ulrich [1 ]
Rentschler, Eva [2 ]
机构
[1] Univ Wurzburg, Inst Anorgan Chem, D-97074 Wurzburg, Germany
[2] Johannes Gutenberg Univ Mainz, Inst Anorgan & Analyt Chem, D-55128 Mainz, Germany
关键词
COMPLEXES; MODEL;
D O I
10.1039/c2cp23063a
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
The stability of the alpha-nitronyl nitroxide radical unit under acidic conditions is investigated by an integrated experimental UV/Vis spectroscopy and TDDFT study. In the field of molecular magnetism, alpha-nitronyl nitroxide radicals are important as purely organic spin carriers due to their synthetic versatility. Here, the existence of an intermediate of the protonated alpha-nitronyl nitroxide radical unit is demonstrated for the first time and a proposed disproportionation reaction is confirmed.
引用
收藏
页码:1649 / 1653
页数:5
相关论文
共 7 条
  • [1] A Crystallographic Study of a Novel Tetrazolyl-Substituted Nitronyl Nitroxide Radical
    Romanov, Vasily E.
    Bagryanskaya, Irina Yu
    Gorbunov, Dmitry E.
    Gritsan, Nina P.
    Zaytseva, Elena, V
    Luneau, Dominique
    Tretyakov, Evgeny, V
    CRYSTALS, 2018, 8 (09):
  • [2] Construction and Magnetic Study of One-Dimensional Lanthanide-Radical Chains Involving Pyridinone-Substituted Nitronyl Nitroxide Radicals
    Guo, Jianni
    Sun, Juan
    Sun, Guifang
    Sun, Zan
    Li, Licun
    EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2018, (27) : 3241 - 3248
  • [3] An Integrated Experimental-Computational Study of Vocal Fold Vibration in Type I Thyroplasty
    Avhad, Amit
    Wilson, Azure
    Sayce, Lea
    Li, Zheng
    Rousseau, Bernard
    Doyle, James F.
    Luo, Haoxiang
    JOURNAL OF BIOMECHANICAL ENGINEERING-TRANSACTIONS OF THE ASME, 2024, 146 (04):
  • [4] Radical-initiated alkene hydroauration as a route to gold(III) alkyls: an experimental and computational study
    Pintus, Anna
    Bochmann, Manfred
    RSC ADVANCES, 2018, 8 (05): : 2795 - 2803
  • [5] Computational and Experimental Study of the Structure, Binding Preferences, and Spectroscopy of Nickel(II) and Vanadyl Porphyrins in Petroleum
    Stoyanov, Stanislav R.
    Yin, Cindy-Xing
    Gray, Murray R.
    Stryker, Jeffrey M.
    Gusarov, Sergey
    Kovalenko, Andriy
    JOURNAL OF PHYSICAL CHEMISTRY B, 2010, 114 (06): : 2180 - 2188
  • [6] Temperature Profile Mapping over a Catalytic Unit of a Hydrogen Passive Autocatalytic Recombiner: An Experimental and Computational Fluid Dynamics Study
    Malakhov, A. A.
    du Toit, M. H.
    du Preez, S. P.
    Avdeenkov, A., V
    Bessarabov, D. G.
    ENERGY & FUELS, 2020, 34 (09) : 11637 - 11649
  • [7] A Joint Experimental and Computational Study of the Negative Ion Photoelectron Spectroscopy of the 1-Phospha-2,3,4-triazolate Anion, HCPN3-
    Hou, Gao-Lei
    Chen, Bo
    Transue, Wesley J.
    Hrovat, David A.
    Cummins, Christopher C.
    Borden, Weston Thatcher
    Wang, Xue-Bin
    JOURNAL OF PHYSICAL CHEMISTRY A, 2016, 120 (31): : 6228 - 6235