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Issue 28, 2017, Issue in Progress
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Experimental observation and quantum chemical investigation of thallium(I) (Z)-methanediazotate: synthesis of a long sought and highly reactive species

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Abstract

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.

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

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Publication details

The article was received on 20 Jan 2017, accepted on 17 Feb 2017 and first published on 17 Mar 2017


Article type: Paper
DOI: 10.1039/C7RA00872D
Citation: RSC Adv., 2017,7, 17071-17075
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    Experimental observation and quantum chemical investigation of thallium(I) (Z)-methanediazotate: synthesis of a long sought and highly reactive species

    N. Singh, B. Fiedler, J. Friedrich and K. Banert, RSC Adv., 2017, 7, 17071
    DOI: 10.1039/C7RA00872D

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