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ESI-MS of Cucurbituril Complexes Under Negative Polarity

2017-11Journal article Restricted access
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dc.contributor.authorRodrigues, Maria A. A.
dc.contributor.authorMendes, Debora C.
dc.contributor.authorRamamurthy, Vaidhyanathan
dc.contributor.authorDa Silva, José Paulo
dc.date.accessioned2019-11-20T15:07:15Z
dc.date.available2019-11-20T15:07:15Z
dc.date.issued2017-11
dc.description.abstractElectrospray ionization mass spectrometry (ESI-MS) is a powerful tool to study host-guest supramolecular interactions. ESI-MS can be used for detailed gas-phase reactivity studies, to clarify the structure, or simply to verify the formation of complexes. Depending on the structure of the host and of the guest, negative and/or positive ESI are used. Here we report the unexpected formation of host-guest complexes between cucurbit[n]urils (n = 7, 8, CB[n]) and amine, styryl pyridine, and styryl pyridine dimer cations, under negative ESI. Non-complexed CB[n] form double charged halide (Br-, Cl-, F-) adducts. Under negative ESI, halide ions interact with CB[n] outer surface hydrogen atoms. One to one host-guest complexes (1:1) of CB[n] with positive charged guests were also observed as single and double charged ions under negative ESI. The positive charge of guests is neutralized by ion-pairing with halide anions. Depending on the number of positive charges guests retain in the gas phase, one or two additional halide ions are required for neutralization. Complexes 1:2 of CB[8] with styryl pyridines retain two halide ions in the gas phase, one per guest. Styryl pyridine dimers form 1:1 complexes possessing a single extra halide ion and therefore a single positive charge. Negative ESI is sensitive to small structural differences between complexes, distinguishing between 1:2 complexes of styryl pyridine-CB[8] and corresponding 1:1 complexes with the dimer. Negative ESI gives simpler spectra than positive ESI and allows the determination of guest charge state of CB[n] complexes in the gas phase.
dc.identifier.doi10.1007/s13361-017-1758-0
dc.identifier.issn1044-0305
dc.identifier.issn1879-1123
dc.identifier.urihttp://hdl.handle.net/10400.1/12946
dc.language.isoeng
dc.peerreviewedyes
dc.publisherSpringer
dc.subjectIonization-mass-spectrometry
dc.subjectGas-phase
dc.subjectElectrospray-ionization
dc.subjectInclusion complexes
dc.subjectAnionic adducts
dc.subjectCyclodextrin
dc.subjectAttachment
dc.subjectChemistry
dc.subjectDecompositions
dc.subjectEfficiency
dc.titleESI-MS of Cucurbituril Complexes Under Negative Polarity
dc.typejournal article
dspace.entity.typePublication
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/5876/UID%2FBIA%2F04325%2F2013/PT
oaire.citation.endPage2514
oaire.citation.issue11
oaire.citation.startPage2508
oaire.citation.titleJournal of the American Society For Mass Spectrometry
oaire.citation.volume28
oaire.fundingStream5876
person.familyNameDa Silva
person.givenNameJosé Paulo
person.identifier.ciencia-id3413-C4F4-73F7
person.identifier.orcid0000-0002-6458-7328
person.identifier.ridA-4606-2008
person.identifier.scopus-author-id7201733236
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.nameFundação para a Ciência e a Tecnologia
rcaap.rightsrestrictedAccess
rcaap.typearticle
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relation.isAuthorOfPublication.latestForDiscoverye2004fa2-a47d-44b0-b11c-fc95fe51cbf9
relation.isProjectOfPublication6d3f02ba-fdcb-47d4-9822-726bf3da94d9
relation.isProjectOfPublication.latestForDiscovery6d3f02ba-fdcb-47d4-9822-726bf3da94d9

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