Issue 28, 2017, Issue in Progress

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

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

Supplementary files

Article information

Article type
Paper
Submitted
20 Jan 2017
Accepted
17 Feb 2017
First published
17 Mar 2017
This article is Open Access
Creative Commons BY license

RSC Adv., 2017,7, 17071-17075

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

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.

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