TEMPONE, Tanon

tempone 2d
TEMPONE EPR 210 K
EPR spectrum: TEMPONE, toluene, 210 K (JCAMP-DX)
URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/tempone.jdx
TEMPONE simulation
EPR simulation: TEMPONE, toluene, 210 K (JCAMP-DX)
URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/tempone_sim.jdx

SIMULATION PARAMETERS
units: MHz
no. of sets of nuclei: 2
  HFC       Spin  Number var.:
   40.0956  1.0   1      0.0100
   -0.4026  0.5   6      0.0100
Lineshape: 1 (Lorentzian)
  Linewidth   var.:
    0.8273      0.0100
Spectrum width: 139.284
  Offset      var.:
  -69.3301      0.0100
  Fit range (points):
    1   2048
sigma=    166.343

1H ENDOR

1H ENDOR
1H ENDOR spectrum: TEMPONE, MBBA isotropic, 330 K (JCAMP-DX)

URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/tempone_mbba_330k_endor.jdx

HFC: -0.40 MHz, νH = 14.48 MHz; linewidth: 0.20 MHz (Lorentzian)

Note: According to single-crystal studies, the four methyl groups are not equivalent (see ref.)

14N ENDOR in isotropic solution

14N ENDOR
14N ENDOR spectrum: TEMPONE, ZLI-1167 isotropic, 370 K, high field 3418.2 G (JCAMP-DX)

URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/tempone_zli-1167_370k_endor_hf.jdx
14N ENDOR
14N ENDOR spectrum: TEMPONE, ZLI-1167 isotropic, 370 K, center field 3403.6 G (JCAMP-DX)

URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/tempone_zli-1167_370k_endor_cf.jdx
14N ENDOR
1H ENDOR spectrum: TEMPONE, ZLI-1167 isotropic, 370 K, low field 3389.0 G (JCAMP-DX)

URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/tempone_zli-1167_370k_endor_lf.jdx

  HFC, MHz   Number
   41.1      1N

νN = 1.10 MHz (calcd.: 1.05 MHz plus second-order shift, 0.05 MHz)

The dependence of (relative) signal intensities is due to cross-relaxtion effects with flop-flop processes dominating (Wx2), caused by electron-nuclear dipolar interaction (END).

14N ENDOR in nematic solution

14N ENDOR
14N ENDOR spectrum: TEMPONE, ZLI-1167 nematic, 310 K, high field 3419.5 G (JCAMP-DX)

URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/tempone_zli-1167_310k_endor_hf.jdx
14N ENDOR
14N ENDOR spectrum: TEMPONE, ZLI-1167 nematic, 310 K, center field 3403.7 G (JCAMP-DX)

URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/tempone_zli-1167_310k_endor_cf.jdx
14N ENDOR
1H ENDOR spectrum: TEMPONE, ZLI-1167 nematic, 310 K, low field 3389.0 G (JCAMP-DX)

URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/tempone_zli-1167_310k_endor_lf.jdx

  HFC, MHz   Number
   44.3      1N

quadrupole splitting: 0.20 MHz

Ref.: M. Brustolon et al., Mol. Phys. 1984, 51, 1269: single-crystal ENDOR


Copyright © Burkhard Kirste, Freie Universität Berlin, 2014.