Cycloaddition of alkynes to diimino Mo3S4 cubane type clusters: a combined experimental and theoretical approach
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![Fig. 2 Typical spectral changes for the reaction of [1]PF 6 with dmad in acetonitrile (T = 25.0 1C, [[1]PF 6 ] = 7.5 10 5 M, [dmad] = 0.017 M; time base = 100 seconds)](https://thumb-us.123doks.com/thumbv2/123dok_es/3321324.599399/4.892.113.377.737.1007/fig-typical-spectral-changes-reaction-dmad-acetonitrile-seconds.webp)
![Table 1 Summary of second order rate constants (M 1 s 1 ) for the reaction of [1] + and [Mo 3 S 4 (acac) 3 (py) 3 ] + with an excess of alkyne in acetonitrile solution at 25 1C](https://thumb-us.123doks.com/thumbv2/123dok_es/3321324.599399/5.892.498.779.72.278/table-summary-second-constants-reaction-excess-acetonitrile-solution.webp)
![Fig. 5 Bidimensional HSQC spectrum of the species resulting from the reaction between [1] + and dmad](https://thumb-us.123doks.com/thumbv2/123dok_es/3321324.599399/6.892.478.800.69.407/fig-bidimensional-hsqc-spectrum-species-resulting-reaction-dmad.webp)
![Fig. 6 DFT-optimised structures of the transition states and type I pro- pro-ducts of the [3+2] cycloaddition reaction between btd and the clusters [1] + and [2] +](https://thumb-us.123doks.com/thumbv2/123dok_es/3321324.599399/7.892.48.438.151.294/optimised-structures-transition-states-ducts-cycloaddition-reaction-clusters.webp)
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