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dc.contributor.authorKosendiak, Iwona
dc.contributor.authorAhokas, Jussi M.E.
dc.contributor.authorKrupa, Justyna
dc.contributor.authorLundell, Jan
dc.contributor.authorWierzejewska, Maria
dc.date.accessioned2019-09-12T10:11:28Z
dc.date.available2019-09-12T10:11:28Z
dc.date.issued2019
dc.identifier.citationKosendiak, I., Ahokas, J. M., Krupa, J., Lundell, J., & Wierzejewska, M. (2019). Complexes of Glycolic Acid with Nitrogen Isolated in Argon Matrices. I : Structures and Thermal Effects. <i>Molecules</i>, <i>24</i>(18), Article 3262. <a href="https://doi.org/10.3390/molecules24183262" target="_blank">https://doi.org/10.3390/molecules24183262</a>
dc.identifier.otherCONVID_32812640
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/65491
dc.description.abstractMolecular complexes between glycolic acid and nitrogen were studied in a low-temperature argon matrix with FTIR spectroscopy, and supported by MP2 and BLYPD3 calculations. The calculations indicate 11 and 10 stable complex structures at the MP2 and BLYPD3 levels of theories, respectively. However, only one hydrogen-bonded complex structure involving the most stable SSC conformer of glycolic acid was found experimentally, where the nitrogen molecule is bound with the carboxylic OH group of the SSC conformer. The complex shows a rich site structure variation upon deposition of the matrix in different temperatures and upon annealing experiments, which provide interesting prospects for site-selective chemistry.en
dc.format.mimetypeapplication/pdf
dc.languageeng
dc.language.isoeng
dc.publisherMDPI
dc.relation.ispartofseriesMolecules
dc.rightsCC BY 4.0
dc.subject.otherhydrogen bond
dc.subject.othermatrix isolation
dc.subject.othercarboxylic acid
dc.subject.othercomputational chemistry
dc.subject.othervibrational spectroscopy
dc.titleComplexes of Glycolic Acid with Nitrogen Isolated in Argon Matrices. I : Structures and Thermal Effects
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-201909124135
dc.contributor.laitosKemian laitosfi
dc.contributor.laitosDepartment of Chemistryen
dc.contributor.oppiaineNanoscience Centerfi
dc.contributor.oppiaineFysikaalinen kemiafi
dc.contributor.oppiaineKemiafi
dc.contributor.oppiaineNanoscience Centeren
dc.contributor.oppiainePhysical Chemistryen
dc.contributor.oppiaineChemistryen
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.description.reviewstatuspeerReviewed
dc.relation.issn1420-3049
dc.relation.numberinseries18
dc.relation.volume24
dc.type.versionpublishedVersion
dc.rights.copyright© 2019 by the authors. Licensee MDPI, Basel, Switzerland.
dc.rights.accesslevelopenAccessfi
dc.relation.grantnumber286844
dc.subject.ysovetysidokset
dc.subject.ysokarboksyylihapot
dc.subject.ysolaskennallinen kemia
dc.subject.ysomolekyylit
dc.subject.ysotyppi
dc.format.contentfulltext
jyx.subject.urihttp://www.yso.fi/onto/yso/p38131
jyx.subject.urihttp://www.yso.fi/onto/yso/p27282
jyx.subject.urihttp://www.yso.fi/onto/yso/p23053
jyx.subject.urihttp://www.yso.fi/onto/yso/p2984
jyx.subject.urihttp://www.yso.fi/onto/yso/p10988
dc.rights.urlhttps://creativecommons.org/licenses/by/4.0/
dc.relation.doi10.3390/molecules24183262
dc.relation.funderSuomen Akatemiafi
dc.relation.funderAcademy of Finlanden
jyx.fundingprogramAkatemiahanke, SAfi
jyx.fundingprogramAcademy Project, AoFen
jyx.fundinginformationThis research was funded by the National Science Centre project no. 2013/11/B/ST4/00500 (at UWr to M.W.) and Academy of Finland project no. 286844 (at JYU to J.L.).


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