Optimized equilibrium structure of phenyldiazonium tetrachlorocuprate(II) and its vibrational spectra were studied by performing quantum-chemical calculations by the B3LYP/6-31G(d,p) density functional method. A comparison with the isolated phenyldiazonium cation was made. An orbital structure of phenyldiazonium tetrachlorocuprate(II) is suggested to account for the activity of compounds of this kind as effective arylating reagents for olefins under the Meerwein reaction conditions.
Russian Journal of Applied Chemistry – Springer Journals
Published: Mar 5, 2010
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