Spin coupling in nonconjugated organic radicals

被引:7
|
作者
Prasad, BLV [1 ]
Radhakrishnan, TP [1 ]
机构
[1] UNIV HYDERABAD, SCH CHEM, HYDERABAD 500046, ANDHRA PRADESH, INDIA
来源
JOURNAL OF PHYSICAL CHEMISTRY A | 1997年 / 101卷 / 16期
关键词
D O I
10.1021/jp9632908
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
Spin interactions in nonconjugated organic multiradical systems are analyzed using semiempirical quantum chemical computations. Implications of these results for an appraisal of the ferrocarbon model for organic ferromagnets are discussed.
引用
收藏
页码:2973 / 2978
页数:6
相关论文
共 50 条
  • [42] ELECTRON-SPIN-RESONANCE SPECTRA OF ORGANIC RADICALS IN SOLUTION
    OKAZAKI, S
    NAGAOKA, T
    DENKI KAGAKU, 1991, 59 (02): : 106 - 113
  • [43] HIGH RESOLUTION ELECTRON SPIN RESONANCE OF ORGANIC FREE RADICALS
    HAUSSER, KH
    JOURNAL DE CHIMIE PHYSIQUE, 1964, 61 (11-1): : 1610 - +
  • [44] joint-refinement of spin and charge densities of organic radicals
    Souhassou, Mohamed
    Voufack, Ariste Bolivard
    Claiser, Nicolas
    Lecomte, Claude
    Gillon, Beatrice
    Yan, Zeyin
    Gillet, Jean-Michel
    Marazzi, Marco
    Genoni, Alessandro
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2017, 73 : C1364 - C1364
  • [45] THEORETICAL CALCULATIONS OF THE HYPERFINE COUPLING-CONSTANTS OF ORGANIC RADICALS
    SIEIRO, C
    DELAVEGA, JMG
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1985, 21 (FEB): : 383 - 386
  • [46] Mechanoresponsive Spin via Spin-Lattice Coupling in Organic Cocrystals
    Chen, Zhiyan
    Lu, Xiangqian
    Qiao, Jiawei
    Liu, Jianqiang
    Qin, Wei
    NANO LETTERS, 2022, : 5481 - 5486
  • [47] Metalloporphyrin τ-cation radicals. Molecular structure and spin coupling in a vanadyl octaethylporphyrinate derivative. An unexpected spin coupling path
    Schulz, C.E.
    Song, H.
    Lee, Y.J.
    Mondal, J.U.
    Mohanrao, K.
    Reed, C.A.
    Walker, F.A.
    Scheldt, W.R.
    Journal of the American Chemical Society, 1994, 116 (16)
  • [48] C-C Cross-Coupling Reactions of Trityl Radicals: Spin Density Delocalization, Exchange Coupling, and a Spin Label
    Fleck, Nico
    Hett, Tobias
    Brode, Jonas
    Meyer, Andreas
    Richert, Sabine
    Schiemann, Olav
    JOURNAL OF ORGANIC CHEMISTRY, 2019, 84 (06): : 3293 - 3303
  • [49] Light-Harvesting Spin Hyperpolarization of Organic Radicals in a Metal-Organic Framework
    Hamachi, Tomoyuki
    Inoue, Miku
    Fuki, Masaaki
    Honda, Teruyuki
    Yabuki, Reiya
    Parmar, Bhavesh
    Miyata, Kiyoshi
    Onda, Ken
    Ito, Takuma
    Kurashige, Yuki
    Kobori, Yasuhiro
    Yanai, Nobuhiro
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2025, 147 (05) : 4365 - 4374
  • [50] METALLOPORPHYRIN PI-CATION RADICALS - MOLECULAR-STRUCTURE AND SPIN COUPLING IN A VANADYL OCTAETHYLPORPHYRINATE DERIVATIVE - AN UNEXPECTED SPIN COUPLING PATH
    SCHULZ, CE
    SONG, HS
    LEE, YJ
    MONDAL, JU
    MOHANRAO, K
    REED, CA
    WALKER, FA
    SCHEIDT, WR
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1994, 116 (16) : 7196 - 7203