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Synthesis, structural characterization, and theoretical calculations of a new copper(I)-octahydrotriborate complex.

Reactions of CuCl with [R4N][B3H8] (R = Et, n-Pr, n-Bu) salts give the new [R4N][ClCuB3H8] complexes of copper(I). These compounds have fluxional behavior in solution. MP2 and DFT calculations show that the most stable conformation of the anion has two boron atoms bound to the metal by two B−H−Cu bridge hydrogen bonds.