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Experimental observation and quantum chemical investigation of thallium(I) (Z)-methanediazotate: synthesis of a long sought and highly reactive species

For the first time, successful synthesis and characterisation of the missing (Z)-isomer of thallium(I) methanediazotate has been accomplished, utilising low-temperature NMR monitoring analysis. The title compound was synthesised from N-methyl-N-nitrosourea and thallium(I) propoxide, under sub-ambient temperature conditions, as a highly moisture sensitive entity. Quantum chemical calculations, performed at the CCSD(T) level, depict excellent conformity to experimental results. Indeed, compared to its (E) counterpart, the formation of the title compound is thermodynamically less favoured, but preferred by means of kinetic control owing to a hindered isomerisation.

Identiferoai:union.ndltd.org:DRESDEN/oai:qucosa.de:bsz:ch1-qucosa-224226
Date28 April 2017
CreatorsSingh, Neeraj, Fiedler, Benjamin, Friedrich, Joachim, Banert, Klaus
ContributorsTechnische Universität Chemnitz, Fakultät für Naturwissenschaften, Royal Society of Chemistry,
PublisherUniversitätsbibliothek Chemnitz
Source SetsHochschulschriftenserver (HSSS) der SLUB Dresden
LanguageEnglish
Detected LanguageEnglish
Typedoc-type:article
Formatapplication/pdf, application/pdf, text/plain, application/zip
SourceRSC Adv., 2017,7, 17071-17075

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