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Prodotti recenti

An Alternative Strategy to Polymorph Recognition at Work: The Emblematic Case of Coronene

We show that the development of highly accurate density functional theory calculations coupled to low-frequency Raman spectroscopy constitutes a valid method for polymorph characterization alternative/complementary to X-ray. The method is applied here to the temperature-induced, first-order phase transitio...

Solvated and Ferroelectric Phases of the Charge Transfer Co-Crystal TMB-TCNQ

We have successfully determined the crystal structure of both the low temperature and solvated phases of 3,3′,5,5′-tetramethylbenzidine-tetracyanoquinodimethane (TMB-TCNQ). The triclinic solvate phase was erroneously believed for years to be a polymorph of TMB-TCNQ, while using X-rays diffraction, infrared ...

New Polymorphs of Perylene:Tetracyanoquinodimethane Charge Transfer Cocrystals

We report two hitherto unknown polymorphs of the charge transfer (CT) cocrystal perylene:tetracyanoquinodimethane (TCNQ) grown by physical vapor transport (PVT) in argon atmosphere. One of the polymorphs, named β, has stoichiometry 1:1 and adds to the three known structures with stoichiometry...

Mixed stack charge transfer crystals: Crossing the neutral-ionic borderline by chemical substitution

We report extensive structural and spectroscopic characterization of four mixed stack charge-transfer (ms-CT) crystals formed by the electron donor 3,3',5,5'-tetramethylbenzidine (TMB) with Chloranil (CA), Bromanil (BA), 2,5-difluoro-tetracyanoquinodimethane (TCNQF(2)), and tetrafluoro-tetracyanoquinodimethane (TCNQF(4)). Together&#...

Extensive study of the electron donor 1,1,4,4-tetrathiabutadiene (TTB) and of its charge transfer crystal with TCNQ

In the spirit of the renewed interest in mixed stack charge-transfer (CT) crystals, made up by alternating π electron-donor and acceptor molecules, we focus attention on a forgotten donor, 1,1,4,4-tetrathiabutadiene (TTB), synthesized more than 35 years ago. We present a spectroscopic and&#x...