BDPA, Koelsch, 1,1,3,3-Bis(biphenylenyl)-2-phenylpropenyl

koelsch 2d koelsch EPR simulation
EPR simulation: koelsch (JCAMP-DX)
URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/koelsch_sim.jdx
(Digital EPR spectrum not available; a figure is reproduced in the reference given below.)

SIMULATION PARAMETERS
units: MHz
no. of sets of nuclei: 7
  HFC       Spin  Number
   -5.600   0.5   4
   -5.350   0.5   4
    1.378   0.5   4
    0.960   0.5   4
    0.532   0.5   1
    0.324   0.5   2
    0.100   0.5   2
Lineshape: 1 (Lorentzian)
Linewidth: 0.10
Spectrum width: 56.05
Offset: -28.025
# HFC from ENDOR (toluene, 205 K, see ref.)

koelsch ENDOR
ENDOR: koelsch, MTHF, 200 K (JCAMP-DX)
URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/koelsch_endor.jdx

HFC, MHz   Number
  -5.60    4      (1,1',8,8')
  -5.38    4      (3,3',6,6')
   1.38    4      (2,2',7,7')
   0.96    4      (4,4',5,5')
   0.56    1      (para-H)
   0.32    2      (ortho-H)

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


Copyright © Burkhard Kirste, Freie Universität Berlin, 2014.