ZnTPP radical cation, ZnTPP-Radikalkation

CAS RN of ZnTPP radical cation: 39732-73-5

ZnTPP rc 2d
ZnTPP rc EPR 298 K
EPR spectrum: ZnTPP radical cation, CH2Cl2, 298 K (JCAMP-DX)
URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/zntpp.jdx
ZnTPP rc simulation
EPR simulation: ZnTPP radical cation, CH2Cl2, 298 K (JCAMP-DX)
URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/zntpp_sim.jdx

SIMULATION PARAMETERS
no. of sets of nuclei: 5
  HFC       Spin  Number var.:
    4.3484  1.0   4      0.0010
   -1.1128  0.5   4      0.0010
   -0.8028  0.5   8      0.0010
    0.7017  0.5   8      0.0010
   -0.1971  0.5   8      0.0010
Lineshape: 2 (Gaussian)
  Linewidth   var.:
    0.3193      0.0010
Spectrum width: 54.873
  Offset      var.:
  -27.7882      0.0010
  Fit range (points):
    1   1024
sigma=    616.215

Note: Assignment of the largest proton HFC (absolute value) to four equivalent para protons gives the best agreement for the room-temperature spectrum, but the HFC are temperature-dependent.

ENDOR

ZnTPP rc ENDOR 200 K
ENDOR spectrum: ZnTPP radical cation, CH2Cl2, 200 K (JCAMP-DX)
URL: http://kirste.userpage.fu-berlin.de/chemistry/jdx/zntpp_endor.jdx

for signs and assignments, vide supra

  HFC, MHz   Number
    1.10
    0.80
    0.15

Ref.: M. Huber et al., J. Chem. Soc. Faraday Trans. 1990, 86, 1087


Copyright © Burkhard Kirste, Freie Universität Berlin, 2014.