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

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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.