2024-03-29T15:18:43Zhttp://digital.csic.es/dspace-oai/requestoai:digital.csic.es:10261/1644122021-08-20T06:41:28Zcom_10261_46com_10261_3col_10261_299
2018-05-04T10:18:18Z
urn:hdl:10261/164412
Oligothienylenevinylene Polarons and Bipolarons Confined between Electron‐Accepting Perchlorotriphenylmethyl Radicals
Mayorga, Paula
Franco, Carlos
Caballero, Rubén
Mas Torrent, Marta
Langa, Fernando
López Navarrete, Juan Teodomiro
Rovira, Concepció
Veciana, Jaume
Casado, Juan
Dirección General de Investigación Científica y Técnica, DGICT (España)
Ministerio de Economía y Competitividad (España)
Junta de Comunidades de Castilla-La Mancha
Centro de Investigación Biomédica en Red Bioingeniería, Biomateriales y Nanomedicina (España)
Instituto de Salud Carlos III
Electron transfer
Mixed-valent compounds
Molecular wires
Radical ions
Thienylenevinylene
A detailed analysis is undertaken of positively charged species generated on a series of thienylenevinylene (nTV) wires terminally substituted with two perchlorotriphenylmethyl (.PTM) radical acceptor groups, .PTM‐nTV‐PTM. (n=2–7). Motivated by the counterintuitive key role played by holes in the nTV bridges on the operating mechanism of electron transfer in their radical anion mixed‐valence derivatives, a wide combination of experimental and theoretical techniques is used, with the aim of gaining further insights into their structural location. Consequently, contributions of the .PTM units for the stabilization of the radical cations and hole localization, particularly in the case of the shortest molecular wire, are probed. In this sense, the formation of quinoidal ring segments, resulting from the coupling of the unpaired electron of the .PTM radical site with those generated along the nTV chains is found. Additionally, open‐shell dications, described by the recovery of the central aromaticity and two terminal quinoidal segments, assisted by the .PTM units, are detected.
2018-05-04T10:18:18Z
2018-05-04T10:18:18Z
2018-03-12
artículo
Chemistry - a European Journal 24(15): 3776-3783 (2018)
0947-6539
http://hdl.handle.net/10261/164412
http://dx.doi.org/10.13039/501100003329
http://dx.doi.org/10.13039/501100004587
http://dx.doi.org/10.13039/501100005053
http://dx.doi.org/10.13039/501100008737
http://dx.doi.org/10.13039/501100011698
eng
Postprint
http://dx.doi.org/10.1002/chem.201705080
Sí
info:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2013-40480-R
info:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2016-80030-R
info:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2015- 69391-P
info:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/CTQ2016-79189-R
info:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/SEV-2015-0496
openAccess
Wiley-VCH