-
Views
-
Cite
Cite
Shamim Akhtar, Jiro Tanaka, Kazuhiro Nakasuji, Ichiro Murata, Electronic Structures of 3,4:3′,4′-Bis(tetramethylene)-2,2′,5,5′-tetrathiafulvalene–TCNQ and 3,4:3′,4′-Bis(tetramethylene)-2,2′,5,5′-tetrathiafulvalene-1,4-Dihydro-1,4-bis(dicyanomethylene)triptycene Complex Crystals, Bulletin of the Chemical Society of Japan, Volume 58, Issue 8, August 1985, Pages 2279–2284, https://doi.org/10.1246/bcsj.58.2279
- Share Icon Share
Abstract
Experimental results of the polarized reflection spectra and the calculated absorption spectra of 3,4:3′,4′-bis(tetramethylene)-2,2′,5,5′-tetrathiafulvalene (OMTTF)–TCNQ and OMTTF–1,4-dihydro-1,4-bis(dicyanomethylene)triptycene(DBTCNQ) crystals are discussed by developing approximate theoretical models, based on the CT mechanism. The electronic structures conform well that, OMTTF–TCNQ is a neutral crystal whereas, OMTTF–DBTCNQ is ionic. Furthermore, the temperature dependent spin susceptibilities imply the former as diamagnetic and the latter as a regular Heisenberg antiferromagnet.