Temperature-Induced Neutral-Ionic Phase Transition in the (EDT-TTF-I-2)(2)TCNQF Mixed-Stack Charge-Transfer Salt
PBN-AR
Instytucja
Instytut Fizyki Molekularnej Polskiej Akademii Nauk
Informacje podstawowe
Główny język publikacji
en
Czasopismo
Journal of Physical Chemistry C
ISSN
1932-7447
EISSN
1932-7455
Wydawca
AMER CHEMICAL SOC
DOI
URL
Rok publikacji
2016
Numer zeszytu
41
Strony od-do
23740-23747
Numer tomu
120
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Pozostali autorzy
+ 2
Streszczenia
Język
en
Treść
We report the infrared (IR) and Raman study of the 2:1 mixed-stack charge transfer salt (EDT-TTF-I-2)(2)TCNQF, where EDT-TTF = ethylenedithiotetrathiafulvalene and TCNQ = tetracyanoquinodimethane, which undergoes a temperature-induced neutral-ionic phase transition. Polarized infrared (IR) and Raman spectra of single crystals were measured in the 8-293 K temperature range. Temperature variations of vibrational modes that are assigned to both donors and acceptors show that the average degree of charge transfer is growing continuously from about zero at room temperature to about le at T = 8 K; nevertheless, at about 100 K a regime change is observed. The coexistence of molecular species of different ionicity is detected in the whole temperature range. The IR vibrational features due to electron-molecular vibrational coupling increase their intensities considerably upon cooling giving an evidence of relatively small gradual distortions of crystal structure. Existence of ferroelectric domains is suggested. A scheme of the neutral-ionic phase transition in a 2:1 complex is proposed and discussed.
Cechy publikacji
ORIGINAL_ARTICLE
Inne
System-identifier
794351
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