Infrared studies of the phase transition in the organic charge transfer salt N-propylquinolinium(TCNQ)2

Polarized infrared and optical reflectance spectroscopies were used to study the structural phase transition in the organic charge-transfer salt N-propylquinolinium ditetracyanoquinodimethane. Above the 220-K phase-transition temperature, the spectra are characteristic of other 1:2 semiconducting charge-transfer salts. Three significant changes occur below T(c). First, the midinfrared charge-transfer band can be resolved into two distinct excitations. Second, there is enhanced oscillator strength, indicative of a larger intratetramer transfer integral in the low-temperature phase. Finally, the vibrational lines split into doublets, providing evidence for an uneven charge distribution within the tetramer. The weakly metallic transport properties above T(c) are attributed to the uniform charge distribution within the tetramer and the high degree of overlap between the intratetramer and intertetramer charge-transfer bands. The transport properties in the low-temperature phase are dominated by charge localization, which may act to reduce the overlap between these low-energy charge-transfer features