Please use this identifier to cite or link to this item: http://hdl.handle.net/1942/9797
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dc.contributor.authorPasinszki, Tibor-
dc.contributor.authorKrebsz, Melinda-
dc.contributor.authorHAJGATO, Balazs-
dc.date.accessioned2009-08-19T12:05:00Z-
dc.date.availableWITHHELD_ONE_YEAR-
dc.date.issued2009-
dc.identifier.citationCHEMICAL PHYSICS LETTERS, 473(4-6). p. 343-347-
dc.identifier.issn0009-2614-
dc.identifier.urihttp://hdl.handle.net/1942/9797-
dc.description.abstractThe mechanism and selectivity of cycloaddition reactions of iodonitrile oxide, ICNO, have been studied with theoretical methods for the first time using MR-AQCC coupled-cluster and B3LYP DFT methods. Calculations have predicted that the favoured ICNO dimerisation process is a multi-step reaction to diiodofuroxan involving dinitrosoethylene-like intermediates. The ICNO cycloaddition with nitriles and ethynyl derivatives is a synchronous process favouring the formation of 1,2,4-oxadiazole and 1,2-oxazole derivatives, respectively. The cycloaddition reactions of ICNO have been studied experimentally by generating ICNO from AgCNO and iodine. Diiodofuroxan is obtained, however, even at the presence of nitriles. (c) 2009 Elsevier B.V. All rights reserved.-
dc.language.isoen-
dc.publisherELSEVIER SCIENCE BV-
dc.titleCycloaddition reactions of ICNO-
dc.typeJournal Contribution-
dc.identifier.epage347-
dc.identifier.issue4-6-
dc.identifier.spage343-
dc.identifier.volume473-
local.format.pages5-
local.bibliographicCitation.jcatA1-
dc.description.notes[Pasinszki, Tibor; Krebsz, Melinda] Lorand Eotvos Univ, Inst Chem, Dept Inorgan Chem, H-1117 Budapest, Hungary. [Hajgato, Balazs] Vrije Univ Brussels, B-1050 Brussels, Belgium. [Hajgato, Balazs] Hasselt Univ, Dept SBG, B-3590 Diepenbeek, Belgium.-
local.type.refereedRefereed-
local.type.specifiedArticle-
dc.bibliographicCitation.oldjcatA1-
dc.identifier.doi10.1016/j.cplett.2009.03.078-
dc.identifier.isi000265908600025-
item.fulltextWith Fulltext-
item.validationecoom 2010-
item.contributorHAJGATO, Balazs-
item.contributorKrebsz, Melinda-
item.contributorPasinszki, Tibor-
item.fullcitationPasinszki, Tibor; Krebsz, Melinda & HAJGATO, Balazs (2009) Cycloaddition reactions of ICNO. In: CHEMICAL PHYSICS LETTERS, 473(4-6). p. 343-347.-
item.accessRightsOpen Access-
crisitem.journal.issn0009-2614-
crisitem.journal.eissn1873-4448-
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