The UV Spectra and Their Calculation of TCNQ and Its Mono- and Di-valent AnionJonkman, H. T. & Kommandeur, J., 1972, In : Chemical Physics Letters. 15, 4, 4 p.
Research output: Contribution to journal › Article › Academic
The electronic absorption and emission spectra of TCNQ and its mono- and divalent anions were measured. An SCMO CI calculation in the PPP approximation was performed with one set of parameters for the three species yielding good agreement with experiment. The energy of the disproportionation reaction 2TCNQ- → TCNQ0 + TCNQ2- was estimated at 3.5 eV.
|Number of pages||4|
|Journal||Chemical Physics Letters|
|Publication status||Published - 1972|
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