On the stability of glycine-water clusters with excess electron: Implications for photoelectron spectroscopy

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dc.contributor.authorAhn, DSko
dc.contributor.authorKang, ARko
dc.contributor.authorLee, Sko
dc.contributor.authorKim, Bongsooko
dc.contributor.authorKim, Sangkyuko
dc.contributor.authorNeuhauser, Dko
dc.date.accessioned2009-12-08T01:32:31Z-
dc.date.available2009-12-08T01:32:31Z-
dc.date.created2012-02-06-
dc.date.created2012-02-06-
dc.date.issued2005-02-
dc.identifier.citationJOURNAL OF CHEMICAL PHYSICS, v.122, no.8-
dc.identifier.issn0021-9606-
dc.identifier.urihttp://hdl.handle.net/10203/14351-
dc.description.abstractCalculations are presented for the glycine-(H(2)O)(n)(-) (n=0-2) anionic clusters with excess electron, with the glycine core in the canonical or zwitterion form. A variety of conformers are predicted, and their relative energy is examined to estimate thermodynamic stability. The dynamic (proton transfer) pathways between the anionic clusters with the canonical and the zwitterion glycine core are examined. Small barrier heights for isomerization from the zwitterion glycine-(H(2)O)(2)(-) anion to those with canonical glycine core suggest that the former conformers may be kinetically unstable and unfavorable for detection of neutral glycine zwitterion-(H(2)O)(n) (n=1,2) clusters by photodetachment, in accordance with the photoelectron spectroscopic experiments by Bowen and co-workers [Xu et al., J. Chem. Phys. 119, 10696 (2003)]. The calculated stability of the glycine-(H(2)O)(n)(-) anion clusters with canonical glycine core relative to those with zwitterion core indicates that the observation of the anionic conformers with the canonical glycine core would be much more feasible, as revealed by Johnson and co-workers. (C) 2005 American Institute of Physics.-
dc.description.sponsorshipThis work was supported by the Korea Research Foundation Grant No. KRF-2002-070-C00046. B.K. is thankful for support from KOSEF through the ABRL program. S.L. thanks Dr. C. Desfrancois and Professor K. H. Bowen for many helpful comments.en
dc.languageEnglish-
dc.language.isoen_USen
dc.publisherAMER INST PHYSICS-
dc.subjectDIPOLE-BOUND ANIONS-
dc.subjectPROTON-TRANSFER-
dc.subjectGAS-PHASE-
dc.subjectCONFORMATIONAL LANDSCAPES-
dc.subjectADIABATIC CONNECTION-
dc.subjectAQUEOUS-SOLUTION-
dc.subjectAMINO-ACIDS-
dc.subjectZWITTERION-
dc.subjectALANINE-
dc.subjectMOLECULES-
dc.titleOn the stability of glycine-water clusters with excess electron: Implications for photoelectron spectroscopy-
dc.typeArticle-
dc.identifier.wosid000227372200032-
dc.identifier.scopusid2-s2.0-22944447151-
dc.type.rimsART-
dc.citation.volume122-
dc.citation.issue8-
dc.citation.publicationnameJOURNAL OF CHEMICAL PHYSICS-
dc.identifier.doi10.1063/1.1850893-
dc.contributor.localauthorKim, Bongsoo-
dc.contributor.localauthorKim, Sangkyu-
dc.contributor.nonIdAuthorAhn, DS-
dc.contributor.nonIdAuthorKang, AR-
dc.contributor.nonIdAuthorLee, S-
dc.contributor.nonIdAuthorNeuhauser, D-
dc.type.journalArticleArticle-
dc.subject.keywordPlusDIPOLE-BOUND ANIONS-
dc.subject.keywordPlusPROTON-TRANSFER-
dc.subject.keywordPlusGAS-PHASE-
dc.subject.keywordPlusCONFORMATIONAL LANDSCAPES-
dc.subject.keywordPlusADIABATIC CONNECTION-
dc.subject.keywordPlusAQUEOUS-SOLUTION-
dc.subject.keywordPlusAMINO-ACIDS-
dc.subject.keywordPlusZWITTERION-
dc.subject.keywordPlusALANINE-
dc.subject.keywordPlusMOLECULES-
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