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.
| Identifer | oai:union.ndltd.org:DRESDEN/oai:qucosa:de:qucosa:20691 |
| Date | 28 April 2017 |
| Creators | Singh, Neeraj, Fiedler, Benjamin, Friedrich, Joachim, Banert, Klaus |
| Contributors | Technische Universität Chemnitz |
| Publisher | Royal Society of Chemistry |
| Source Sets | Hochschulschriftenserver (HSSS) der SLUB Dresden |
| Language | English |
| Detected Language | English |
| Type | doc-type:article, info:eu-repo/semantics/article, doc-type:Text |
| Source | RSC Adv., 2017,7, 17071-17075 |
| Rights | info:eu-repo/semantics/openAccess |
| Relation | 10.1039/C7RA00872D, 2046-2069 |
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