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
Near infrared electronic spectrum of TCNQ mono-valent anion
โ Scribed by F.B. Kaufman; Ivan Haller
- Book ID
- 103016382
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- English
- Weight
- 250 KB
- Volume
- 33
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
The high resolution near infrared electronic spectrum of TCNQ anion dissolved in 2-methyltctrahydrofuran glass at 77 K has been determined. The absorption bands are interpreted as simple progessions of two molecular vibrations in a sing!e electronic excited state with ~0~ = 11661 cm -I. The molecuhr vibrations (wi = li64 -F 3 cm-', wi = 335 ? 3 cm-') of ;&e vibrational progression sgrce weU with observed Raman active transitians. 'The experimental data do not require the presence of two electronic transitions in the 1.3 to 2.1 eV region, contrary to what had been assumed previously on the hasis of less well resolved room temperature spectra.
character. In order to help assign the lowest electronic transition in this system, we have studied the electronic spectrum of the TCNQ anion in glassy media.
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