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12 results on '"Solano, Federica"'

1. Reviving BVDT-TTF and EVT-TTF salts

Author

Centre National de la Recherche Scientifique (France), Université d’Angers, Polish National Agency for Academic Exchange, Ministère des Affaires étrangères (France), Ministre de l'Enseignement Supérieur, de la Recherche et de l'Innovation (France), Polish Academy of Sciences, Ministerio de Ciencia e Innovación (España), Agencia Estatal de Investigación (España), Generalitat de Catalunya, Solano, Federica, Auban-Senzier, Pascale, Barszcz, Bolesław, Frackowiak, Arkadiusz, Olejniczak, Iwona, Alemany, Pere, Canadell, Enric, Zigon, Nicolas, Avarvari, Narcis, Centre National de la Recherche Scientifique (France), Université d’Angers, Polish National Agency for Academic Exchange, Ministère des Affaires étrangères (France), Ministre de l'Enseignement Supérieur, de la Recherche et de l'Innovation (France), Polish Academy of Sciences, Ministerio de Ciencia e Innovación (España), Agencia Estatal de Investigación (España), Generalitat de Catalunya, Solano, Federica, Auban-Senzier, Pascale, Barszcz, Bolesław, Frackowiak, Arkadiusz, Olejniczak, Iwona, Alemany, Pere, Canadell, Enric, Zigon, Nicolas, and Avarvari, Narcis

Abstract

Herein are reported the synthesis, in-depth structural description and conducting properties of various salts of the symmetric bis-vinylenedithio-tetrathiafulvalene (BVDT-TTF) and dissymmetric ethylene-vinylenedithio-tetrathiafulvalene (EVT-TTF). Compared to the omnipresent bis-ethylenedithio-tetrathiafulvalene (BEDT-TTF) these two closely related and easily synthesizable organic donors have been reported ca. 200 times less in the literature. Four new structures of organic conductors are herein investigated and analysed through a battery of techniques, including X-ray analysis on single-crystals, conductivity measurements, Raman spectroscopy and band structure calculations. All materials exhibit semiconducting behaviours with conductivities in the 10−3 to 10−1 S cm−1 range at RT and ambient pressure. The impact of the structural or electronic disorder on the conductivity and dimensionality of the salts is examined.

Published
2024

2. Reviving BVDT-TTF and EVT-TTF salts

Author

Solano, Federica, primary, Senzier, Pascale, additional, Barszcz, Bolesław, additional, Frąckowiak, Arkadiusz, additional, Olejniczak, Iwona, additional, Alemany, Pere, additional, Canadell, Enric, additional, Zigon, Nicolas, additional, and Avarvari, Narcis, additional

Published
2024
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5. A redox active rod coordination polymer from tetrakis(4-carboxylic acid biphenyl)tetrathiafulvalene.

Author

Zigon, Nicolas, Solano, Federica, Auban-Senzier, Pascale, Grolleau, Stéphane, Devic, Thomas, Zolotarev, Pavel N., Proserpio, Davide M., Barszcz, Bolesław, Olejniczak, Iwona, and Avarvari, Narcis

Subjects
*COORDINATION polymers, *TETRATHIAFULVALENE, *DIPHENYL, *OXIDATION-reduction reaction, *DENSITY functional theory
Abstract

An enlarged version of the ubiquitous tetrathiafulvalene-tetrabenzoic acid is described, with 4,4′-biphenyl moieties as spacers between the coordination moieties and the electroactive core. The obtained rectangular ligand has a 14 × 22 Å2 size and is combined with Zn(II) under solvothermal conditions to yield a coordination polymer endowed with large cavities of ca. 15 × 11 Å2/10 × 10 Å2. The topology of the material is discussed in detail using the Points of Extension and Metals (PE&M) or the Straight-rod (STR) representation, and the sqc1121 or tfo topological type of the structure is observed, respectively. Its stability towards solvent removal and electrical properties are discussed. The material does not present any permanent porosity upon desolvation according to nitrogen sorption measurements at 77 K. Nevertheless, a significant increase in conductivity is observed on compressed pellets of the material upon post-synthetic oxidation with iodine. Raman spectroscopy combined with density functional theory (DFT) calculations has been used to characterize the oxidation state of tetrakis(4-carboxylic acid biphenyl)tetrathiafulvalene for coordination polymers. [ABSTRACT FROM AUTHOR]

Published
2024
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7. Bis(Vinylenedithio)-Tetrathiafulvalene-Based Coordination Networks

Author

Centre National de la Recherche Scientifique (France), Université d’Angers, Polish National Agency for Academic Exchange, Ministère des Affaires étrangères (France), Ministére de l'Education Nationale de la Recherche et de la Technologie (France), Polish Academy of Sciences, Ministry of Science and Higher Education (Poland), Ministerio de Ciencia, Innovación y Universidades (España), Generalitat de Catalunya, Auban-Senzier, Pascale [0000-0001-7672-4759], Olejniczak, Iwona [0000-0002-7651-7204], Barszcz, Bolesław [0000-0002-3858-1301], Runka, Tomasz [0000-0002-0965-2676], Alemany, Pere [0000-0002-3139-6189], Canadell, Enric [0000-0002-4663-5226], Avarvari, Narcís [0000-0001-9970-4494], Zigon, Nicolas [0000-0002-7539-2921], Solano, Federica, Auban-Senzier, Pascale, Olejniczak, Iwona, Barszcz, Bolesław, Runka, Tomasz, Alemany, Pere, Canadell, Enric, Avarvari, Narcís, Zigon, Nicolas, Centre National de la Recherche Scientifique (France), Université d’Angers, Polish National Agency for Academic Exchange, Ministère des Affaires étrangères (France), Ministére de l'Education Nationale de la Recherche et de la Technologie (France), Polish Academy of Sciences, Ministry of Science and Higher Education (Poland), Ministerio de Ciencia, Innovación y Universidades (España), Generalitat de Catalunya, Auban-Senzier, Pascale [0000-0001-7672-4759], Olejniczak, Iwona [0000-0002-7651-7204], Barszcz, Bolesław [0000-0002-3858-1301], Runka, Tomasz [0000-0002-0965-2676], Alemany, Pere [0000-0002-3139-6189], Canadell, Enric [0000-0002-4663-5226], Avarvari, Narcís [0000-0001-9970-4494], Zigon, Nicolas [0000-0002-7539-2921], Solano, Federica, Auban-Senzier, Pascale, Olejniczak, Iwona, Barszcz, Bolesław, Runka, Tomasz, Alemany, Pere, Canadell, Enric, Avarvari, Narcís, and Zigon, Nicolas

Abstract

Novel coordination polymers embedding electroactive moieties present a high interest in the development of porous conducting materials. While tetrathiafulvalene (TTF) based metal-organic frameworks were reported to yield through-space conducting frameworks, the use of S-enriched scaffolds remains elusive in this field. Herein is reported the employment of bis(vinylenedithio)-tetrathiafulvalene (BVDT-TTF) functionalized with pyridine coordinating moieties in coordination polymers. Its combination with various transition metals yielded four isostructural networks, whose conductivity increased upon chemical oxidation with iodine. The oxidation was confirmed in a single-crystal to single-crystal X-ray diffraction experiment for the Cd(II) coordination polymer. Raman spectroscopy measurements and DFT calculations confirmed the oxidation state of the bulk materials, and band structure calculations assessed the ground state as an electronically localized antiferromagnetic state, while the conduction occurs in a 2D manner. These results are shedding light to comprehend how to improve through-space conductivity thanks to sulfur enriched ligands.

Published
2022

8. Bis(Vinylenedithio)‐Tetrathiafulvalene‐Based Coordination Networks.

Author

Solano, Federica, Auban‐Senzier, Pascale, Olejniczak, Iwona, Barszcz, Bolesław, Runka, Tomasz, Alemany, Pere, Canadell, Enric, Avarvari, Narcis, and Zigon, Nicolas

Subjects
*COORDINATION polymers, *CONDUCTING polymers, *METAL-organic frameworks, *RAMAN spectroscopy, *OXIDATION states, *POROUS materials
Abstract

Novel coordination polymers embedding electroactive moieties present a high interest in the development of porous conducting materials. While tetrathiafulvalene (TTF) based metal‐organic frameworks were reported to yield through‐space conducting frameworks, the use of S‐enriched scaffolds remains elusive in this field. Herein is reported the employment of bis(vinylenedithio)‐tetrathiafulvalene (BVDT‐TTF) functionalized with pyridine coordinating moieties in coordination polymers. Its combination with various transition metals yielded four isostructural networks, whose conductivity increased upon chemical oxidation with iodine. The oxidation was confirmed in a single‐crystal to single‐crystal X‐ray diffraction experiment for the Cd(II) coordination polymer. Raman spectroscopy measurements and DFT calculations confirmed the oxidation state of the bulk materials, and band structure calculations assessed the ground state as an electronically localized antiferromagnetic state, while the conduction occurs in a 2D manner. These results are shedding light to comprehend how to improve through‐space conductivity thanks to sulfur enriched ligands. [ABSTRACT FROM AUTHOR]

Published
2023
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12. Charge transfer modulation in charge transfer co-crystals driven by crystal structure morphology

Author

Federica Solano, Paolo Inaudi, Ornella Abollino, Agnese Giacomino, Mario Chiesa, Enrico Salvadori, Gabriele Kociok-Kohn, Enrico da Como, Tommaso Salzillo, Claudio Fontanesi, Solano, Federica, Inaudi, Paolo, Abollino, Ornella, Giacomino, Agnese, Chiesa, Mario, Salvadori, Enrico, Kociok-Kohn, Gabriele, da Como, Enrico, Salzillo, Tommaso, and Fontanesi, Claudio

Subjects
Donor-acceptor complexes, Single crystal diffraction, electrochemistry, General Physics and Astronomy, Physical and Theoretical Chemistry
Abstract

The electronic properties of a charge-transfer (donor-acceptor) semiconducting organic co-crystal, Perylene:F4-TCNQ (PE:F4) (the donor, D, is PE and the acceptor, A, is 2,3,5,6-tetrafluoro-7,7,8,8 tetracyanoquinodimethane (F4)) in its 3 : 2 stoichiometry, are experimentally and theoretically studied. This is performed by means of electron paramagnetic resonance (EPR) and solid state electrochemical techniques, such as cyclic voltammetry (CV) measurements on single crystals. In particular, solid state electrochemistry proves to be an effective tool to probe, on a macroscopic scale, the electronic characteristics of the co-crystal. However, EPR highlights the presence of spin 1/2 radicals localized on F4 molecules, possibly linked to defects. The experimental findings are discussed on the basis of density functional theory (DFT) based calculations, carried out using both the projector augmented wave (PAW), with "periodic boundary conditions" (pbc), method and the localized orbitals, molecular cluster, approach. In particular, a satisfying agreement is found between the experimental, 0.336 eV (electrochemical), and theoretical, 0.303 eV (PAW), band gaps. Differences with the reported optical bandgap are discussed considering excitonic effects.

Published
2022

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