Temperature-Induced Neutral-Ionic Phase Transition in the (EDT-TTF-I2)2TCNQF Mixed-Stack Charge-Transfer Salt | Zendy

Arkadiusz Fra̧ckowiak | Zendy; Iwona Olejniczak | Zendy; Roman Świetlik | Zendy; Olivier Jeannin | Zendy; Marc Fourmigué | Zendy

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Temperature-Induced Neutral-Ionic Phase Transition in the (EDT-TTF-I₂)₂TCNQF Mixed-Stack Charge-Transfer Salt

Author(s) -

Arkadiusz Fra̧ckowiak,

Iwona Olejniczak,

Roman Świetlik,

Olivier Jeannin,

Marc Fourmigué

Publication year - 2016

Publication title -

the journal of physical chemistry c

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.401

H-Index - 289

eISSN - 1932-7455

pISSN - 1932-7447

DOI - 10.1021/acs.jpcc.6b07642

Subject(s) - raman spectroscopy , ionic bonding , phase transition , tetracyanoquinodimethane , atmospheric temperature range , infrared , chemistry , phase (matter) , infrared spectroscopy , crystal (programming language) , molecular vibration , stack (abstract data type) , materials science , analytical chemistry (journal) , ion , condensed matter physics , molecule , thermodynamics , optics , physics , organic chemistry , chromatography , computer science , programming language

International audienceWe report the infrared (IR) and Raman study of the 2:1 mixed-stack charge transfer salt (EDT-TTF-I2)2TCNQF, 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 1e 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. © 2016 American Chemical Society

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