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Synthesis,characterization and dynamic stereochemistry of thermochromic tris(dithiocarbamato)vanadium(III) complexes stereochemistry of thermochromic tris(dithiocarbamato)vanadium(III) complexes |
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| Abstract: | The vanadium(III) complexes, V(S2CNMe2)3 (1) and V(S2CN i Pr2)3 (2) were prepared and characterized by analysis, IR, electronic and 1H NMR spectra. The complexes show reversible thermochromic behaviour. MM2 calculations were used to simulate the molecular structure of 1. For 2, variable temperature 1H NMR revealed hindered rotation about C–N bonds. The rotational energy barrier (38?kJ?mol?1) was obtained by molecular mechanics force-field calculations. |
| Keywords: | Dithiocarbamate Thermochromism Vanadium(III) Variable temperature spectra Structure simulation |