The UV spectra and their calculation of TCNQ and its mono- and di-valent anion

✍ Scribed by Harry T. Jonkman; Jan Kommandeur

• Book ID: 103013340
• Publisher: Elsevier Science
• Year: 1972
• Tongue: English
• Weight: 236 KB
• Volume: 15
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(72)80357-9

✦ Synopsis

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---, TCNQ ° + TCNQ 2" was estimated at 3.5 eV.