Interrogating the CISS effect in chiral and paramagnetic organic radicals

Continuous research on new chiral molecular materials brings new exciting properties to the field of molecular electronics. The discovery of the chirality-induced spin selectivity (CISS) effect has expanded the list of applications for chiral structures, opening promising avenues for their exploitat...

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Authors: De Sousa, J. Alejandro|||0000-0002-7948-8162, Mayorga-Burrezo, Paula|||0000-0002-2747-9344, Míguez-Lago, Sandra|||0000-0002-0424-3574, Catalán-Toledo, José|||0000-0001-6165-1286, Ramos-Tomás, Raúl|||0000-0001-8325-7140, Ortuño, Ana|||0000-0001-8562-7248, Zotti, Linda A.|||0000-0002-5292-6759, Palacios, Juan Jose|||0000-0003-2378-0866, González Campaña, Araceli|||0000-0001-5483-5642, Veciana i Miró, Jaume|||0000-0003-1023-9923, Crivillers, Núria|||0000-0001-6538-2482
Format: article
Publication Date:2024
Country:España
Institution:Universitat Autònoma de Barcelona
Repository:Dipòsit Digital de Documents de la UAB
Language:English
OAI Identifier:oai:ddd.uab.cat:302033
Online Access:https://ddd.uab.cat/record/302033
https://dx.doi.org/urn:doi:10.1039/d4tc01389a
Access Level:Open access
Keyword:Chiral structures
Functionalized
Molecular materials
Molecular spins
Molecular spintronics
Organic radicals
Organics
Property
Selectivity effects
Spin-polarization
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spelling Interrogating the CISS effect in chiral and paramagnetic organic radicalsthe impact of the molecular spin over the total spin polarizationDe Sousa, J. Alejandro|||0000-0002-7948-8162Mayorga-Burrezo, Paula|||0000-0002-2747-9344Míguez-Lago, Sandra|||0000-0002-0424-3574Catalán-Toledo, José|||0000-0001-6165-1286Ramos-Tomás, Raúl|||0000-0001-8325-7140Ortuño, Ana|||0000-0001-8562-7248Zotti, Linda A.|||0000-0002-5292-6759Palacios, Juan Jose|||0000-0003-2378-0866González Campaña, Araceli|||0000-0001-5483-5642Veciana i Miró, Jaume|||0000-0003-1023-9923Crivillers, Núria|||0000-0001-6538-2482Chiral structuresFunctionalizedMolecular materialsMolecular spinsMolecular spintronicsOrganic radicalsOrganicsPropertySelectivity effectsSpin-polarizationContinuous research on new chiral molecular materials brings new exciting properties to the field of molecular electronics. The discovery of the chirality-induced spin selectivity (CISS) effect has expanded the list of applications for chiral structures, opening promising avenues for their exploitation in molecular spintronics. In this work, the persistent propeller-like organic perchlorotriphenylmethyl (PTM) radical is investigated as a potential spin filter combining chirality and paramagnetism. In particular, two different PTM derivatives, mono- and bis-functionalized, with one or two terminal alkyne groups have been used for the preparation of enantioenriched solid-state assemblies. The analysis of their chiroptical properties reveals that the functionalization does not play a crucial role in their final conformational stability and highlights the dissimilarities of the racemization barriers in solution and solid states. Spin-dependent electrochemical and charge transport measurements of enantioenriched PTM-based self-assembled monolayers did not reveal the existence of the CISS effect. Density functional theory quantum transport calculations show that the most dominant contribution to the spin polarization would not be CISS-related polarization, but the one intrinsically associated with the radical spin. Nevertheless, at room temperature this contribution is affected by thermal fluctuations averaging to a net zero spin polarization. 22024-01-0120242024-01-01Articlehttp://purl.org/coar/resource_type/c_6501VoRhttp://purl.org/coar/version/c_970fb48d4fbd8a85info:eu-repo/semantics/articleapplication/pdfhttps://ddd.uab.cat/record/302033https://dx.doi.org/urn:doi:10.1039/d4tc01389areponame:Dipòsit Digital de Documents de la UABinstname:Universitat Autònoma de BarcelonaInglésengAgència de Gestió d'Ajuts Universitaris i de Recerca https://doi.org/10.13039/501100003030 2021/SGR-00443Agencia Estatal de Investigación https://doi.org/10.13039/501100011033 PID2019-111682RB-I00Agencia Estatal de Investigación https://doi.org/10.13039/501100011033 PID2022-141393OB-I00Agencia Estatal de Investigación https://doi.org/10.13039/501100011033 PID2021-127521NB-I00Agencia Estatal de Investigación https://doi.org/10.13039/501100011033 PID2021-125604NB-I00Agencia Estatal de Investigación https://doi.org/10.13039/501100011033 PID2019-109539GB-C43Agencia Estatal de Investigación https://doi.org/10.13039/501100011033 PID2022-141712NB-C21Agencia Estatal de Investigación https://doi.org/10.13039/501100011033 TED2021-131323B-I00Agencia Estatal de Investigación https://doi.org/10.13039/501100011033 CEX2019-000917-SEuropean Commission https://doi.org/10.13039/501100000780 754397Ministerio de Ciencia e Innovación https://doi.org/10.13039/501100004837 CEX2018-000805-Mopen accesshttp://purl.org/coar/access_right/c_abf2Aquest document està subjecte a una llicència d'ús Creative Commons. Es permet la reproducció total o parcial, la distribució, la comunicació pública de l'obra i la creació d'obres derivades, sempre que no sigui amb finalitats comercials, i sempre que es reconegui l'autoria de l'obra original.https://creativecommons.org/licenses/by-nc/4.0/info:eu-repo/semantics/openAccessoai:ddd.uab.cat:3020332026-06-06T12:50:31Z
dc.title.none.fl_str_mv Interrogating the CISS effect in chiral and paramagnetic organic radicals
the impact of the molecular spin over the total spin polarization
title Interrogating the CISS effect in chiral and paramagnetic organic radicals
spellingShingle Interrogating the CISS effect in chiral and paramagnetic organic radicals
De Sousa, J. Alejandro|||0000-0002-7948-8162
Chiral structures
Functionalized
Molecular materials
Molecular spins
Molecular spintronics
Organic radicals
Organics
Property
Selectivity effects
Spin-polarization
title_short Interrogating the CISS effect in chiral and paramagnetic organic radicals
title_full Interrogating the CISS effect in chiral and paramagnetic organic radicals
title_fullStr Interrogating the CISS effect in chiral and paramagnetic organic radicals
title_full_unstemmed Interrogating the CISS effect in chiral and paramagnetic organic radicals
title_sort Interrogating the CISS effect in chiral and paramagnetic organic radicals
dc.creator.none.fl_str_mv De Sousa, J. Alejandro|||0000-0002-7948-8162
Mayorga-Burrezo, Paula|||0000-0002-2747-9344
Míguez-Lago, Sandra|||0000-0002-0424-3574
Catalán-Toledo, José|||0000-0001-6165-1286
Ramos-Tomás, Raúl|||0000-0001-8325-7140
Ortuño, Ana|||0000-0001-8562-7248
Zotti, Linda A.|||0000-0002-5292-6759
Palacios, Juan Jose|||0000-0003-2378-0866
González Campaña, Araceli|||0000-0001-5483-5642
Veciana i Miró, Jaume|||0000-0003-1023-9923
Crivillers, Núria|||0000-0001-6538-2482
author De Sousa, J. Alejandro|||0000-0002-7948-8162
author_facet De Sousa, J. Alejandro|||0000-0002-7948-8162
Mayorga-Burrezo, Paula|||0000-0002-2747-9344
Míguez-Lago, Sandra|||0000-0002-0424-3574
Catalán-Toledo, José|||0000-0001-6165-1286
Ramos-Tomás, Raúl|||0000-0001-8325-7140
Ortuño, Ana|||0000-0001-8562-7248
Zotti, Linda A.|||0000-0002-5292-6759
Palacios, Juan Jose|||0000-0003-2378-0866
González Campaña, Araceli|||0000-0001-5483-5642
Veciana i Miró, Jaume|||0000-0003-1023-9923
Crivillers, Núria|||0000-0001-6538-2482
author_role author
author2 Mayorga-Burrezo, Paula|||0000-0002-2747-9344
Míguez-Lago, Sandra|||0000-0002-0424-3574
Catalán-Toledo, José|||0000-0001-6165-1286
Ramos-Tomás, Raúl|||0000-0001-8325-7140
Ortuño, Ana|||0000-0001-8562-7248
Zotti, Linda A.|||0000-0002-5292-6759
Palacios, Juan Jose|||0000-0003-2378-0866
González Campaña, Araceli|||0000-0001-5483-5642
Veciana i Miró, Jaume|||0000-0003-1023-9923
Crivillers, Núria|||0000-0001-6538-2482
author2_role author
author
author
author
author
author
author
author
author
author
dc.subject.none.fl_str_mv Chiral structures
Functionalized
Molecular materials
Molecular spins
Molecular spintronics
Organic radicals
Organics
Property
Selectivity effects
Spin-polarization
topic Chiral structures
Functionalized
Molecular materials
Molecular spins
Molecular spintronics
Organic radicals
Organics
Property
Selectivity effects
Spin-polarization
description Continuous research on new chiral molecular materials brings new exciting properties to the field of molecular electronics. The discovery of the chirality-induced spin selectivity (CISS) effect has expanded the list of applications for chiral structures, opening promising avenues for their exploitation in molecular spintronics. In this work, the persistent propeller-like organic perchlorotriphenylmethyl (PTM) radical is investigated as a potential spin filter combining chirality and paramagnetism. In particular, two different PTM derivatives, mono- and bis-functionalized, with one or two terminal alkyne groups have been used for the preparation of enantioenriched solid-state assemblies. The analysis of their chiroptical properties reveals that the functionalization does not play a crucial role in their final conformational stability and highlights the dissimilarities of the racemization barriers in solution and solid states. Spin-dependent electrochemical and charge transport measurements of enantioenriched PTM-based self-assembled monolayers did not reveal the existence of the CISS effect. Density functional theory quantum transport calculations show that the most dominant contribution to the spin polarization would not be CISS-related polarization, but the one intrinsically associated with the radical spin. Nevertheless, at room temperature this contribution is affected by thermal fluctuations averaging to a net zero spin polarization.
publishDate 2024
dc.date.none.fl_str_mv 2
2024-01-01
2024
2024-01-01
dc.type.none.fl_str_mv Article
http://purl.org/coar/resource_type/c_6501
VoR
http://purl.org/coar/version/c_970fb48d4fbd8a85
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv https://ddd.uab.cat/record/302033
https://dx.doi.org/urn:doi:10.1039/d4tc01389a
url https://ddd.uab.cat/record/302033
https://dx.doi.org/urn:doi:10.1039/d4tc01389a
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.relation.none.fl_str_mv Agència de Gestió d'Ajuts Universitaris i de Recerca https://doi.org/10.13039/501100003030 2021/SGR-00443
Agencia Estatal de Investigación https://doi.org/10.13039/501100011033 PID2019-111682RB-I00
Agencia Estatal de Investigación https://doi.org/10.13039/501100011033 PID2022-141393OB-I00
Agencia Estatal de Investigación https://doi.org/10.13039/501100011033 PID2021-127521NB-I00
Agencia Estatal de Investigación https://doi.org/10.13039/501100011033 PID2021-125604NB-I00
Agencia Estatal de Investigación https://doi.org/10.13039/501100011033 PID2019-109539GB-C43
Agencia Estatal de Investigación https://doi.org/10.13039/501100011033 PID2022-141712NB-C21
Agencia Estatal de Investigación https://doi.org/10.13039/501100011033 TED2021-131323B-I00
Agencia Estatal de Investigación https://doi.org/10.13039/501100011033 CEX2019-000917-S
European Commission https://doi.org/10.13039/501100000780 754397
Ministerio de Ciencia e Innovación https://doi.org/10.13039/501100004837 CEX2018-000805-M
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
https://creativecommons.org/licenses/by-nc/4.0/
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2
https://creativecommons.org/licenses/by-nc/4.0/
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.source.none.fl_str_mv reponame:Dipòsit Digital de Documents de la UAB
instname:Universitat Autònoma de Barcelona
instname_str Universitat Autònoma de Barcelona
reponame_str Dipòsit Digital de Documents de la UAB
collection Dipòsit Digital de Documents de la UAB
repository.name.fl_str_mv
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