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Article: Kinetics for Tautomerizations and Dissociations of Triglycine Radical Cations

TitleKinetics for Tautomerizations and Dissociations of Triglycine Radical Cations
Authors
Issue Date2009
PublisherElsevier Inc. The Journal's web site is located at http://www.elsevier.com/locate/jasms
Citation
Journal Of The American Society For Mass Spectrometry, 2009, v. 20 n. 6, p. 996-1005 How to Cite?
AbstractFragmentations of tautomers of the α-centered radical triglycine radical cation, [GGG •] +, [GG •G] +, and [G •GG] +, are charge-driven, giving b-type ions; these are processes that are facilitated by a mobile proton, as in the fragmentation of protonated triglycine (Rodriquez, C. F. et al. J. Am. Chem. Soc. 2001, 123, 3006-3012). By contrast, radical centers are less mobile. Two mechanisms have been examined theoretically utilizing density functional theory and Rice-Ramsperger-Kassel-Marcus modeling: (1) a direct hydrogen-atom migration between two α-carbons, and (2) a two-step proton migration involving canonical [GGG] •+ as an intermediate. Predictions employing the latter mechanism are in good agreement with results of recent CID experiments (Chu, I. K. et al. J. Am. Chem. Soc. 2008, 130, 7862-7872). © 2009 American Society for Mass Spectrometry.
Persistent Identifierhttp://hdl.handle.net/10722/58414
ISSN
2015 Impact Factor: 3.031
2015 SCImago Journal Rankings: 1.322
ISI Accession Number ID
Funding AgencyGrant Number
Natural Sciences and Engineering Research Council (NSERC) of Canada
Chemical Sciences Division
Office of Basic Energy Sciences of the U.S. DOE
Funding Information:

This work was made possible by funding from the Natural Sciences and Engineering Research Council (NSERC) of Canada and by the facilities of the Shared Hierarchical Academic Research Computing Network (SHARCNET: www.sharcnet.ca). The authors thank the Department of Mathematics and Statistics, York University, for granting access to the MATHSTAT time sharing server. Part of this work was conducted in the Environmental Molecular Science Laboratory, located at the Pacific Northwest National Laboratory, and operated for the U.S. Department of Energy (DOE) by Battelle, during CKS's visit with JL. JL acknowledges the support from the Chemical Sciences Division, Office of Basic Energy Sciences of the U.S. DOE.

References

 

DC FieldValueLanguage
dc.contributor.authorSiu, CKen_HK
dc.contributor.authorZhao, Jen_HK
dc.contributor.authorLaskin, Jen_HK
dc.contributor.authorChu, IKen_HK
dc.contributor.authorHopkinson, ACen_HK
dc.contributor.authorSiu, KWMen_HK
dc.date.accessioned2010-05-31T03:29:53Z-
dc.date.available2010-05-31T03:29:53Z-
dc.date.issued2009en_HK
dc.identifier.citationJournal Of The American Society For Mass Spectrometry, 2009, v. 20 n. 6, p. 996-1005en_HK
dc.identifier.issn1044-0305en_HK
dc.identifier.urihttp://hdl.handle.net/10722/58414-
dc.description.abstractFragmentations of tautomers of the α-centered radical triglycine radical cation, [GGG •] +, [GG •G] +, and [G •GG] +, are charge-driven, giving b-type ions; these are processes that are facilitated by a mobile proton, as in the fragmentation of protonated triglycine (Rodriquez, C. F. et al. J. Am. Chem. Soc. 2001, 123, 3006-3012). By contrast, radical centers are less mobile. Two mechanisms have been examined theoretically utilizing density functional theory and Rice-Ramsperger-Kassel-Marcus modeling: (1) a direct hydrogen-atom migration between two α-carbons, and (2) a two-step proton migration involving canonical [GGG] •+ as an intermediate. Predictions employing the latter mechanism are in good agreement with results of recent CID experiments (Chu, I. K. et al. J. Am. Chem. Soc. 2008, 130, 7862-7872). © 2009 American Society for Mass Spectrometry.en_HK
dc.languageengen_HK
dc.publisherElsevier Inc. The Journal's web site is located at http://www.elsevier.com/locate/jasmsen_HK
dc.relation.ispartofJournal of the American Society for Mass Spectrometryen_HK
dc.titleKinetics for Tautomerizations and Dissociations of Triglycine Radical Cationsen_HK
dc.typeArticleen_HK
dc.identifier.emailChu, IK:ivankchu@hku.hken_HK
dc.identifier.authorityChu, IK=rp00683en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1016/j.jasms.2009.01.014en_HK
dc.identifier.pmid19254850-
dc.identifier.scopuseid_2-s2.0-65549086522en_HK
dc.identifier.hkuros155636en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-65549086522&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume20en_HK
dc.identifier.issue6en_HK
dc.identifier.spage996en_HK
dc.identifier.epage1005en_HK
dc.identifier.isiWOS:000266466600012-
dc.publisher.placeUnited Statesen_HK
dc.identifier.scopusauthoridSiu, CK=7006550712en_HK
dc.identifier.scopusauthoridZhao, J=8611619900en_HK
dc.identifier.scopusauthoridLaskin, J=7102409836en_HK
dc.identifier.scopusauthoridChu, IK=7103327484en_HK
dc.identifier.scopusauthoridHopkinson, AC=15067169300en_HK
dc.identifier.scopusauthoridSiu, KWM=35312218500en_HK

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