Galvinoxyl, Coppinger's radical

galvinoxyl 2d
galvinoxyl EPR 296 K
EPR spectrum: galvinoxyl (Coppinger's radical), toluene, 296 K (JCAMP-DX)
URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/galvinoxyl_296k.jdx
EPR simulation: galvinoxyl (Coppinger's radical), toluene, 296 K (JCAMP-DX) URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/galvinoxyl_296k_sim.jdx

SIMULATION PARAMETERS
units: MHz
no. of sets of nuclei: 3
  HFC       Spin  Number var.:
   16.2857  0.5   1      0.0100
    3.8704  0.5   4      0.0100
    0.1790  0.5  36      0.0000
Lineshape: 1 (Lorentzian)
  Linewidth   var.:
    0.2311      0.0100
Spectrum width: 138.940
  Offset      var.:
  -69.5480      0.0100
  Fit range (points):
    1   4096
sigma=    268.158

galvinoxyl EPR 184 K
EPR spectrum: galvinoxyl (Coppinger's radical), toluene, 184 K (JCAMP-DX)
URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/galvinoxyl_184k.jdx
EPR simulation: galvinoxyl (Coppinger's radical), toluene, 184 K (JCAMP-DX) URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/galvinoxyl_184k_sim.jdx

SIMULATION PARAMETERS
units: MHz
no. of sets of nuclei: 3
  HFC       Spin  Number var.:
   16.5924  0.5   1      0.0100
    3.7569  0.5   4      0.0100
    0.1790  0.5  36      0.0000
Lineshape: 1 (Lorentzian)
  Linewidth   var.:
    0.3328      0.0100
Spectrum width: 138.940
  Offset      var.:
  -69.4787      0.0100
  Fit range (points):
    1   4096
sigma=    406.385

Note: Since the largest HFC slightly increases with temperature, whereas the second largest HFC slightly decreases, all ten hyperfine lines can be resolved at 184 K.

Galvinoxyl-d36

Galvinoxyl with perdeuteriated tert-butyl groups (CAS RN 111067-99-3)

galvinoxyl-d36 EPR 296 K
EPR spectrum: galvinoxyl-d36, toluene, 296 K (JCAMP-DX)
URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/galvinoxyl-d36_296k.jdx
galvinoxyl-d36 EPR 296 K sim.
EPR simulation: galvinoxyl-d36, toluene, 296 K (JCAMP-DX)
URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/galvinoxyl-d36_296k_sim.jdx

galvinoxyl-d36 EPR 240 K
EPR spectrum: galvinoxyl-d36, toluene, 240 K (JCAMP-DX)
URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/galvinoxyl-d36_240k.jdx
EPR simulation: galvinoxyl-d36, toluene, 240 K (JCAMP-DX) URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/galvinoxyl-d36_240k_sim.jdx

galvinoxyl-d36 EPR 190 K
EPR spectrum: galvinoxyl-d36, toluene, 190 K (JCAMP-DX)
URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/galvinoxyl-d36_190k.jdx
EPR simulation: galvinoxyl-d36, toluene, 190 K (JCAMP-DX) URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/galvinoxyl-d36_190k_sim.jdx

galvinoxyl-d36 ENDOR 190 K
ENDOR spectrum: galvinoxyl-d36, toluene, 190 K (JCAMP-DX)
URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/galvinoxyl-d36_endor.jdx

ENDOR data (toluene, 190 K):

  HFC, MHz   Number
   16.55     1H
    3.74     4H

Ref.: J. von Gersdorff et al., Magn. Reson. Chem. 1986, 24, 1077

Investigation of Galvinoxyl in a Smectic Mesophase

Note: In the smectic A mesophase of 8CB, inner and outer ring protons of galvinoxyl are not equivalent (data measured at 287 K).

Position         a, MHz   Δa, MHz
1                15.71    -0.32
3,10 (inner H)    3.83     0.47
8,15 (outer H)    3.93     0.19
t-butyl           0.18     0.10

Ref.: B. Kirste, Chem. Phys. Lett. 1979, 64, 63


Copyright © Burkhard Kirste, Freie Universität Berlin, 2014.