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dc.contributor.authorPeuronen, Anssi
dc.contributor.authorSillanpää, Reijo
dc.contributor.authorLehtonen, Ari
dc.date.accessioned2018-04-12T10:19:20Z
dc.date.available2019-04-07T21:35:35Z
dc.date.issued2018
dc.identifier.citationPeuronen, A., Sillanpää, R., & Lehtonen, A. (2018). The Syntheses and Vibrational Spectra of 16O- and 18O-Enriched cis-MO2 (M=Mo, W) Complexes. <i>ChemistrySelect</i>, <i>3</i>(13), 3814-3818. <a href="https://doi.org/10.1002/slct.201800671" target="_blank">https://doi.org/10.1002/slct.201800671</a>
dc.identifier.otherCONVID_27994940
dc.identifier.otherTUTKAID_77327
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/57576
dc.description.abstractIn this contribution, we report convenient synthetic approaches for obtaining 16O/18O‐enriched dioxidometalVI complexes, MO2(L) (W, Mo), with a linear, tetradentate amine phenolate ligand N,N′‐dimethyl‐N,N′‐bis(2‐hydroxy‐3,5‐dimethylbenzyl)ethylenediamine (H2L) and describe their characterization by IR and Raman spectroscopy complemented by DFT computational analysis. The isotopologues of WO2(L) were made of tungstenVI trisglycolate W(eg)3 (eg=1,2‐ethanediolate dianion) and ligand H2L in the presence of either H2[16O] or H2[18O], whereas Mo16O2(L) was made using Na2MoO4⋅2H2O which was converted to Mo18O2(L) by oxido substitution using H2[18O]. The complementary IR and Raman analyses show the ν(MO2)s and ν(MO2)a at 934 and 899 cm–1 for W16O2(L) and at 914 and 898 cm–1 for Mo16O2(L), respectively. In the vibrational spectra of the 18O substituted derivatives, the ν(MO2)s were shifted to lower energy by 43 cm–1 for W18O2(L) and by 41 cm–1 for Mo18O2(L) whereas asymmetric MO2 stretches in the IR were partially overlapped by an organic ligand related stretch. However, Raman spectroscopy, accompanied by DFT calculations, allowed the deciphering the ν(MO2)a shifts of 47 cm–1 for W18O2(L) and 31 cm–1 for Mo18O2(L).
dc.format.mimetypeapplication/pdf
dc.language.isoeng
dc.publisherWiley
dc.relation.ispartofseriesChemistrySelect
dc.subject.otherDFT
dc.subject.otherisotopologues
dc.subject.othervibrational spectra
dc.titleThe Syntheses and Vibrational Spectra of 16O- and 18O-Enriched cis-MO2 (M=Mo, W) Complexes
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-201804112027
dc.contributor.laitosKemian laitosfi
dc.contributor.laitosDepartment of Chemistryen
dc.contributor.oppiaineEpäorgaaninen ja analyyttinen kemiafi
dc.contributor.oppiaineInorganic and Analytical Chemistryen
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.date.updated2018-04-11T12:17:35Z
dc.description.reviewstatuspeerReviewed
dc.format.pagerange3814-3818
dc.relation.issn2365-6549
dc.relation.numberinseries13
dc.relation.volume3
dc.type.versionacceptedVersion
dc.rights.copyright© 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim. This is a final draft version of an article whose final and definitive form has been published by Wiley-VCH Verlag GmbH & Co. KGaA. Published in this repository with the kind permission of the publisher.
dc.rights.accesslevelopenAccessfi
dc.relation.grantnumber277250
dc.subject.ysomolybdeeni
dc.subject.ysotiheysfunktionaaliteoria
dc.subject.ysovolframi
dc.subject.ysokompleksiyhdisteet
dc.format.contentfulltext
jyx.subject.urihttp://www.yso.fi/onto/yso/p11107
jyx.subject.urihttp://www.yso.fi/onto/yso/p28852
jyx.subject.urihttp://www.yso.fi/onto/yso/p10600
jyx.subject.urihttp://www.yso.fi/onto/yso/p30190
dc.relation.doi10.1002/slct.201800671
dc.relation.funderSuomen Akatemiafi
dc.relation.funderAcademy of Finlanden
jyx.fundingprogramAkatemiahanke, SAfi
jyx.fundingprogramAcademy Project, AoFen
jyx.fundinginformationThe authors would like to thank Mr. Rahul Yewale (Department of Chemistry, University of Turku) for the mass spectra and Professor Heikki Tuononen for the kind access to the computational resources at Department of Chemistry in University of Jyväskylä. A. P. kindly acknowledges the funding from Academy of Finland (project no. 277250).


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