tBu3PhO, 2,4,6-Tri-tert-butylphenoxyl

tBu3PhO 2d
tBu3PhO EPR 230 K
EPR spectrum: tBu3PhO, toluene, 230 K (JCAMP-DX)
URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/tbu3pho.jdx
tBu3PhO EPR 230 K sim
EPR simulation: tBu3PhO (trityl), toluene, 230 K (JCAMP-DX)
URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/tbu3pho_sim.jdx

SIMULATION PARAMETERS
units: MHz
no. of sets of nuclei: 3
  HFC       Spin  Number var.:
    4.6266  0.5   2      0.0100 (meta-H)
    1.0679  0.5   9      0.0100 (para-tBu-H)
    0.1771  0.5  18      0.0100 (ortho-tBu-H)
Lineshape: 1 (Lorentzian)
  Linewidth   var.:
    0.2317      0.0100
  Spectrum width:    27.828
  Offset      var.:
  -13.5372      0.0100
  Fit range (points):
    1   2048
sigma=    607.217

Ref.: B. Kirste, J. Magn. Reson., 1985, 62, 242: 13C ENDOR study

Röntgenstruktur des Radikals / X-Ray Structure of the Radical

tBu3PhO 3d
3D structure of tBu3PhO (PDB)

Ref.: J. M. Mayer et al., Chem. Commun., 2008, 256: crystal structure


Copyright © Burkhard Kirste, Freie Universität Berlin, 2014.