3-DOXYL-5α-cholestane, CSL

csl 2d
CSL EPR 270 K
EPR spectrum: CSL (3-DOXYL-5α-cholestane), toluene, 270 K (JCAMP-DX)
URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/csl.jdx
CSL simulation
EPR simulation: CSL (3-DOXYL-5α-cholestane), toluene, 270 K (JCAMP-DX)
URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/csl_sim.jdx
The simulation takes account of MI(14N)-dependent linewidths.

SIMULATION PARAMETERS
no. of sets of nuclei: 6
  HFC       Spin  Number var.:
   40.0071  1.0   1      0.0100
    2.7854  0.5   1      0.0100
   -2.0041  0.5   2      0.0100
   -1.6910  0.5   2      0.0100
    0.5880  0.5   2      0.0100
   -0.3293  0.5   6      0.0100
Lineshape: 1 (Lorentzian)
Linewidth = A + B*M + C*M*M
    A       B        C           var.:
    0.5695  -0.1667  0.2183      0.0100
Spectrum width: 139.450
  Offset      var.:
  -70.0081      0.0100
  Fit range (points):
    1   2048
sigma=    207.2

ENDOR

CSL ENDOR 270 K
14N ENDOR spectrum: CSL, toluene, 270 K (JCAMP-DX)
URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/csl_endor_270k.jdx

CSL ENDOR 270 K
1H ENDOR spectrum: CSL, toluene, 220 K (JCAMP-DX)
URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/csl_endor_220k.jdx

ENDOR data (toluene, 14N: 270 K, 1H: 220 K):

  HFC, MHz   Number
   40.13     1N
    2.79     1H
   -1.96     2H
   -1.73     2H
    0.47     2H
   -0.35     6H

νH = 14.41 MHz, νN = 1.12 MHz

Ref.: B. Kirste, Z. Naturforsch. A 1987, 42, 1296


Copyright © Burkhard Kirste, Freie Universität Berlin, 2014.