H-Koelsch, 1,1,3,3-Bis(biphenylenyl)propenyl

9-(9H-Fluoren-9-ylidenmethyl)fluorenyl, 9-(9H-fluoren-9-ylidenemethyl)fluorenyl

h-koelsch 2d
H-Koelsch EPR
EPR spectrum: H-Koelsch, CCl4, 298 K, low-field part (JCAMP-DX)
URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/h-koelsch.jdx
H-Koelsch EPR sim
EPR simulation: H-Koelsch (JCAMP-DX)
URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/h-koelsch_sim.jdx

SIMULATION PARAMETERS
NOTE: the first HFC (36.702 MHz) is an ESTIMATE (from ENDOR)!
units: MHz
no. of sets of nuclei: 5
  HFC       Spin  Number var.:
   36.7020  0.5   1      0.0000 (β-H)
   -5.6863  0.5   4      0.0100 (1,1',8,8'-H)
   -5.4953  0.5   4      0.0100 (3,3',6,6'-H)
    1.4375  0.5   4      0.0100 (2,2',7,7'-H)
    1.0774  0.5   4      0.0100 (4,4',5,5'-H)
Lineshape: 1 (Lorentzian)
  Linewidth   var.:
    0.0827      0.0100
Spectrum width:    27.829
  Offset      var.:
  -41.1603      0.0100
  Fit range (points):
    1   4096
sigma=    508.664

ENDOR eines isotopenmarkierten Radikals / ENDOR of labelled radical

h-koelsch-labelled 2d H-Koelsch-d16-2-C13 ENDOR
ENDOR spectrum: H-Koelsch-d16-2-13C, mineral oil, 360 K (JCAMP-DX)

URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/h-koelsch-labelled_endor.jdx

Ref.: H. Kurreck et al., J. Am. Chem. Soc., 1980, 102, 817: ENDOR study

  HFC, MHz
  -34.034 (β-13C)
   36.55  (β-H)
   -0.842 (1,1',3,3',6,6',8,8'-D)
    0.188 (2,2',4,4',5,5',7,7'-D)

Copyright © Burkhard Kirste, Freie Universität Berlin, 2014.