Repository logo
 
Publication

Ferrocene and ferrocenium inclusion compounds with cucurbiturils: a study of metal atom dynamics probed by Mossbauer spectroscopy

2017-08Journal article Restricted access
Simple item page
dc.contributor.authorMagalhães, Clara I. R.
dc.contributor.authorGomes, Ana C.
dc.contributor.authorLopes, Andre D.
dc.contributor.authorGonçalves, Isabel S.
dc.contributor.authorPillinger, Martyn
dc.contributor.authorJin, Eunyoung
dc.contributor.authorKim, Ikjin
dc.contributor.authorKo, Young Ho
dc.contributor.authorKim, Kimoon
dc.contributor.authorNowik, Israel
dc.contributor.authorHerber, Rolfe H.
dc.date.accessioned2019-11-20T15:07:25Z
dc.date.available2019-11-20T15:07:25Z
dc.date.issued2017-08
dc.description.abstractTemperature-dependent 57Fe Mossbauer effect (ME) spectroscopic studies were carried out on ferrocene (Fc), 1,10-dimethylferrocene (1,10'(CH3)(2)Fc) and ferrocenium hexafluorophosphate (FcPF(6)) guest species in cucurbit[n] uril (n = 7, 8) inclusion complexes. The solid inclusion complexes were isolated by freeze-drying of dilute aqueous solutions and/or microwave-assisted precipitation from concentrated mixtures. The presence of genuine 1 : 1 (host : guest) inclusion complexes in the isolated solids was supported by liquid-state H-1 and solid-state C-13{H-1} MAS NMR, elemental and thermogravimetric analyses, powder X-ray diffraction, FTIR spectroscopy, and diffuse reflectance UV-Vis spectroscopy. The ME spectra of the complexes CB7.Fc and CB7.11'(CH3)(2)Fc consist of well-resolved doublets with hyperfine parameters (isomer shift and quadrupole splitting at 90 K) and temperature-dependent recoil-free fraction data that are very similar to those for the neat parent compounds, Fc and 1,10(CH3)(2)Fc, suggesting that the organometallic guest molecules do not interact significantly with the host environment over the experimental temperature range. The ME spectra for CB7.FcPF(6) and CB8.FcPF(6) consist of a major broad line resonance attributed to a paramagnetic FeIII site. From the temperature-dependence of the recoil-free fraction it is evident that the charged guest species in these systems interact with the host environment significantly more strongly than was observed in the case of the neutral guest species, Fc and 1,10(CH3)(2)Fc. Moreover, the ME data indicate that the vibrational amplitude of the ferrocenium guest molecule is significantly larger in the CB8 host molecule than in the CB7 homologue, as expected on the basis of the different cavity sizes.
dc.description.sponsorshipFundacao para a Ciencia e a Tecnologia (FCT) [ POCI-01-0145-FEDER-007679]
dc.description.sponsorshipMinisterio da Educacao e Ciencia (MEC)
dc.description.sponsorshipFundo Europeu de Desenvolvimento Regional (FEDER) under the PT Partnership Agreement
dc.description.sponsorshipEuropean Union [SFRH/BPD/108541/2015]
dc.description.sponsorshipMinisterio da Ciencia, Tecnologia e Ensino Superior (MCTES)
dc.description.sponsorshipEuropean Social Fund through the program Programa Operacional Potencial Humano (POPH) of Quadro de Referencia Estrategica Nacional (QREN)
dc.description.sponsorshipFCT [SFRH/BPD/108541/2015]
dc.description.versioninfo:eu-repo/semantics/publishedVersion
dc.identifier.doi10.1039/c7cp04416j
dc.identifier.issn1463-9076
dc.identifier.issn1463-9084
dc.identifier.urihttp://hdl.handle.net/10400.1/13032
dc.language.isoeng
dc.peerreviewedyes
dc.publisherRoyal Society of Chemistry
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.subjectSolid-State
dc.subjectMolecular-Reorientation
dc.subjectComplexes
dc.subjectHost
dc.subjectOrganometallics
dc.subjectMacrocycles
dc.subjectDerivatives
dc.subjectTransition
dc.subjectAdsorption
dc.subjectFrameworks
dc.titleFerrocene and ferrocenium inclusion compounds with cucurbiturils: a study of metal atom dynamics probed by Mossbauer spectroscopy
dc.typejournal article
dspace.entity.typePublication
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/5876/UID%2FCTM%2F50011%2F2013/PT
oaire.citation.endPage21555
oaire.citation.issue32
oaire.citation.startPage21548
oaire.citation.titlePhysical Chemistry Chemical Physics
oaire.citation.volume19
oaire.fundingStream5876
person.familyNameD. Lopes
person.givenNameAndré
person.identifier2824636
person.identifier.ciencia-id351E-856A-0300
person.identifier.orcid0000-0002-9702-1216
person.identifier.ridE-2136-2012
person.identifier.scopus-author-id7201958625
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.nameFundação para a Ciência e a Tecnologia
rcaap.rightsrestrictedAccess
rcaap.typearticle
relation.isAuthorOfPublicationf2f0fe56-e04d-4229-b37b-2b9f1789fe2d
relation.isAuthorOfPublication.latestForDiscoveryf2f0fe56-e04d-4229-b37b-2b9f1789fe2d
relation.isProjectOfPublicationc25bcc3b-270f-40c4-82d9-cd719c5e0e1d
relation.isProjectOfPublication.latestForDiscoveryc25bcc3b-270f-40c4-82d9-cd719c5e0e1d

Files

Original bundle
Now showing 1 - 1 of 1
No Thumbnail Available
Name:
13032 ferroceneand ferrocenium.pdf
Size:
1.14 MB
Format:
Adobe Portable Document Format
Download

Collections

FCT2-Artigos (em revistas ou actas indexadas)