Polymorphism in the [(TTF)<sub>2</sub>(TCNE)<sub>2</sub>] Charge-Transfer Complex

The electronic ground state structure of the charge transfer molecular complex TTF–TCNE is investigated on the basis of its electronic and vibrational spectra. Highly oriented polycrystalline films and the spectra of the fully deuterated complex, TTF-d4–TCNE, allow one to obtain a full exploitation of the spectra. Using the vibrational frequencies as local probes of the electronic structure one finds a value of 0.5±0.1 for the degree of charge transfer of this molecular solid. This partial degree of charge transfer and the alternation of self-dimers of TTF and TCNE along the one-dimensional electronic π-structure reveal themselves in the vibrational spectra and particularly in the charge transfer vibronic resonances present in the infrared and Raman spectra. These resonances and the electronic spectrum related to the charge transfer excitations are understood on the basis of a Holstein–Hubbard model which allows the determination of the electron-intramolecular vibration coupling constants of TTF and TCNE.

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

customersupport@researchsolutions.com

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

This site is protected by reCAPTCHA and the Google Privacy Policy and Terms of Service apply.

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

Polymorphism in the [(TTF)₂(TCNE)₂] Charge-Transfer Complex

Cited by 3 publications

References 18 publications

Structural Studies of the 1:1 Complex of o-3,4-Dimethyltetrathiafulvalene (o-Me2TTF) and 1,2,4,5-Tetracyanobenzene (TCNB)

Structural Studies of the 1:1 Complex of o-3,4-Dimethyltetrathiafulvalene (o-Me2TTF) and 1,2,4,5-Tetracyanobenzene (TCNB)

Thin films of electron donor–acceptor complexes: characterisation of mixed-crystalline phases and implications for electrical doping

TTF–TCNE a charge transfer π–molecular crystal with partial ionic ground state: Optical properties and electron-molecular vibrations interaction

Contact Info

Product

Resources

About

Polymorphism in the [(TTF)2(TCNE)2] Charge-Transfer Complex

Cited by 3 publications

References 18 publications

Structural Studies of the 1:1 Complex of o-3,4-Dimethyltetrathiafulvalene (o-Me2TTF) and 1,2,4,5-Tetracyanobenzene (TCNB)

Structural Studies of the 1:1 Complex of o-3,4-Dimethyltetrathiafulvalene (o-Me2TTF) and 1,2,4,5-Tetracyanobenzene (TCNB)

Thin films of electron donor–acceptor complexes: characterisation of mixed-crystalline phases and implications for electrical doping

TTF–TCNE a charge transfer π–molecular crystal with partial ionic ground state: Optical properties and electron-molecular vibrations interaction

Contact Info

Product

Resources

About

Polymorphism in the [(TTF)₂(TCNE)₂] Charge-Transfer Complex