Pressure-Induced Conductivity in a Neutral Nonplanar Spin-Localized Radical

Manuel Souto; HengBo Cui; Miriam Pena Alvarez; Valentin G Baonza; Harald O. Jeschke; Milan Tomic; Roser Valenti; Davide Blasi; Imma Ratera; Concepcio Rovira; Jaume Veciana

doi:10.1021/jacs.6b02888

Pressure-Induced Conductivity in a Neutral Nonplanar Spin-Localized Radical

Manuel Souto, HengBo Cui, Miriam Pena Alvarez, Valentin G Baonza, Harald O. Jeschke, Milan Tomic, Roser Valenti, Davide Blasi, Imma Ratera, Concepcio Rovira, Jaume Veciana

School of Physics and Astronomy

Research output: Contribution to journal › Article › peer-review

Abstract

There is a growing interest in the development of single-component molecular conductors based on neutral organic radicals that are mainly formed by delocalized planar radicals, such as phenalenyl or thiazolyl radicals. However, there are no examples of systems based on non-planar and spin-localized C-centered radicals exhibiting electrical conductivity due to their Mott
insulator behavior with large Coulomb energy (U) repulsion and narrow electronic bandwidth (W). Here we present a new type of neutral radical conductor by linking a tetrathiafulvalene (TTF) unit to a neutral polychlorotriphenylmethyl radical (PTM) with the important feature that the TTF unit enhances the overlap between the radical units as a consequence of short intermolecular S···S interactions. This system becomes semiconducting upon the application of high pressure thanks to increased electronic bandwidth
and charge reorganization opening the way to develop a new family of neutral radical conductors.

Original language	English
Journal	Journal of the American Chemical Society
Early online date	31 Aug 2016
DOIs	https://doi.org/10.1021/jacs.6b02888
Publication status	Published - 14 Sep 2016

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title = "Pressure-Induced Conductivity in a Neutral Nonplanar Spin-Localized Radical",

abstract = "There is a growing interest in the development of single-component molecular conductors based on neutral organic radicals that are mainly formed by delocalized planar radicals, such as phenalenyl or thiazolyl radicals. However, there are no examples of systems based on non-planar and spin-localized C-centered radicals exhibiting electrical conductivity due to their Mottinsulator behavior with large Coulomb energy (U) repulsion and narrow electronic bandwidth (W). Here we present a new type of neutral radical conductor by linking a tetrathiafulvalene (TTF) unit to a neutral polychlorotriphenylmethyl radical (PTM) with the important feature that the TTF unit enhances the overlap between the radical units as a consequence of short intermolecular S···S interactions. This system becomes semiconducting upon the application of high pressure thanks to increased electronic bandwidthand charge reorganization opening the way to develop a new family of neutral radical conductors.",

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T1 - Pressure-Induced Conductivity in a Neutral Nonplanar Spin-Localized Radical

AU - Souto, Manuel

AU - Cui, HengBo

AU - Pena Alvarez, Miriam

AU - Baonza, Valentin G

AU - Jeschke, Harald O.

AU - Tomic, Milan

AU - Valenti, Roser

AU - Blasi, Davide

AU - Ratera, Imma

AU - Rovira, Concepcio

AU - Veciana, Jaume

PY - 2016/9/14

Y1 - 2016/9/14

N2 - There is a growing interest in the development of single-component molecular conductors based on neutral organic radicals that are mainly formed by delocalized planar radicals, such as phenalenyl or thiazolyl radicals. However, there are no examples of systems based on non-planar and spin-localized C-centered radicals exhibiting electrical conductivity due to their Mottinsulator behavior with large Coulomb energy (U) repulsion and narrow electronic bandwidth (W). Here we present a new type of neutral radical conductor by linking a tetrathiafulvalene (TTF) unit to a neutral polychlorotriphenylmethyl radical (PTM) with the important feature that the TTF unit enhances the overlap between the radical units as a consequence of short intermolecular S···S interactions. This system becomes semiconducting upon the application of high pressure thanks to increased electronic bandwidthand charge reorganization opening the way to develop a new family of neutral radical conductors.

AB - There is a growing interest in the development of single-component molecular conductors based on neutral organic radicals that are mainly formed by delocalized planar radicals, such as phenalenyl or thiazolyl radicals. However, there are no examples of systems based on non-planar and spin-localized C-centered radicals exhibiting electrical conductivity due to their Mottinsulator behavior with large Coulomb energy (U) repulsion and narrow electronic bandwidth (W). Here we present a new type of neutral radical conductor by linking a tetrathiafulvalene (TTF) unit to a neutral polychlorotriphenylmethyl radical (PTM) with the important feature that the TTF unit enhances the overlap between the radical units as a consequence of short intermolecular S···S interactions. This system becomes semiconducting upon the application of high pressure thanks to increased electronic bandwidthand charge reorganization opening the way to develop a new family of neutral radical conductors.

U2 - 10.1021/jacs.6b02888

DO - 10.1021/jacs.6b02888

M3 - Article

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

SN - 0002-7863

ER -

Pressure-Induced Conductivity in a Neutral Nonplanar Spin-Localized Radical

Abstract

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