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dc.contributor.authorIeritano, Christian
dc.contributor.authorFeatherstone, Joshua
dc.contributor.authorHaack, Alexander
dc.contributor.authorGuna, Mircea
dc.contributor.authorCampbell, J. Larry
dc.contributor.authorHopkins, W. Scott
dc.date.accessioned2020-10-27 13:45:28 (GMT)
dc.date.available2020-10-27 13:45:28 (GMT)
dc.date.issued2020-01
dc.identifier.urihttps://doi.org/10.1021/jasms.9b00043
dc.identifier.urihttp://hdl.handle.net/10012/16475
dc.descriptionThis document is the unedited Author’s version of a Submitted Work that was subsequently accepted for publication in 'Journal of the American Society for Mass Spectrometry', copyright © American Chemical Society after peer review. To access the final edited and published work see https://doi.org/10.1021/jasms.9b00043en
dc.description.abstractIons can experience significant field-induced heating in a differential mobility cell. To investigate this phenomenon, the fragmentation of several para-substituted benzylpyridinium “thermometer” ions (R = OMe, Me, F, Cl, H, CN) was monitored in a commercial differential mobility spectrometer (DMS). The internal energy of each benzylpyridinium derivative was characterized by monitoring the degree of fragmentation to obtain an effective temperature, Teff, which corresponds to a temperature consistent with treating the observed fragmentation ratio using a unimolecular dissociation rate weighted by a Boltzmann distribution at a temperature T. It was found that ions are sufficiently thermalized after initial activation from the ESI process to the temperature of the bath gas, Tbath. Once a critical field strength was surpassed, significant fragmentation of the benzylpyridinium ions was detected. At the maximum bath gas temperature (450 K) and separation voltage (SV; 4400 V) for our instrument, Teff for the benzylpyridinium derivatives ranged from 664 ± 9 K (p-OMe) to 759 ± 17 K (p-H). The extent of activation at a given SV depends on the ion’s mass, degrees of freedom, (NDoF), and collision frequency as represented by the ion’s collision cross section. Plots of Teff vs the product of ion mass and NDoF and the inverse of collision cross section produce strong linear relationships. This provides an attractive avenue to estimate ion temperatures at a given SV using only intrinsic properties. Moreover, experimentally determined Teff correlate with theoretically predicted Teff using with a self-consistent method based on two-temperature theory. The various instrumental and external parameters that influence Teff are additionally discussed.en
dc.description.sponsorshipWSH would like to acknowledge the financial support provided by the Natural Sciences and Engineering Research Council (NSERC) of Canada, the Ontario Centres of Excellence in the form of a VIP-II grant, as well as the government of Ontario for an Ontario Early Researcher Award. CI acknowledges financial support from the government of Ontario for an Ontario Graduate Scholarship.en
dc.language.isoenen
dc.publisherAmerican Chemical Societyen
dc.subjectdifferential mobility spectrometryen
dc.subjecteffective temperatureen
dc.subjectthermometer ionen
dc.subjectbenzylpyridiniumen
dc.titleHow Hot Are Your Ions in Differential Mobility Spectrometry?en
dc.typeArticleen
dcterms.bibliographicCitationJ. Am. Soc. Mass Spectrom. 2020, 31, 3, 582–593en
uws.contributor.affiliation1Faculty of Scienceen
uws.contributor.affiliation2Chemistryen
uws.typeOfResourceTexten
uws.peerReviewStatusRevieweden
uws.scholarLevelFacultyen
uws.scholarLevelPost-Doctorateen
uws.scholarLevelGraduateen


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