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Marhöfer, Daniel
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Marhöfer, Daniel
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Marhöfer, Daniel
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- PublicationUnexpected reactions of NHC*—CuI and —AgI bromides with potassium thio- or selenoÂcyanate(International Union of Crystallography, 2019-11)
; ; ; The reactions of N-heterocyclic carbene CuI and AgI halides with potassium thio- or selenoÂcyanate gave unexpected products. The attempted substitution reaction of bromidoÂ(1,3-dibenzyl-4,5-diÂphenylÂimidazol-2-ylÂidene)silver (NHC*—Ag—Br) with KSCN yielded bisÂ[bisÂ(1,3-dibenzyl-4,5-diÂphenylÂimidazol-2-ylÂidene)silver(I)] trisÂ(thioÂcyanato)Âargentate(I) diethyl ether disolvate, [Ag(C29H24N2)2][Ag(NCS)3]·2C4H10O or [NHC*2Ag]2[Ag(SCN)3]·2Et2O, (1), while reaction with KSeCN led to bisÂ(μ-1,3-dibenzyl-4,5-diphenyl-2-selenoÂimidazole-κ2Se:Se)bisÂ[bromidoÂ(1,3-dibenzyl-4,5-diphenyl-2-selenoÂimidÂazole-κSe)silver(I)] diÂchloroÂmethane hexaÂsolvate, [Ag2Br2(C29H24N2Se)4]·6CH2Cl2 or (NHC*Se)4Ag2Br2·6CH2Cl2, (2), via oxidation of the NHC* fragment to 2-selenoÂimidazole. This oxidation was observed again in the reaction of NHC*—Cu—Br with KSeCN, yielding catena-poly[[[(1,3-dibenzyl-4,5-diphenyl-2-selenoÂimidazole-κSe)copper(I)]-μ-cyanido-κ2C:N] acetoÂnitrile monosolvate], {[Cu(CN)(C29H24N2Se)]·C2H3N}n or NHC*Se—CuCN·CH3CN, (3). Compound (1) represents an organic/inorganic salt with AgI in a linear coordination in each of the two cations and in a trigonal coordination in the anion, accompanied by diethyl ether solvent molÂecules. The tri-blade boomerang-shaped complex anion [Ag(SCN)3]2− present in (1) is characterized by X-ray diffraction for the first time. Compound (2) comprises an isolated centrosymmetric molÂecule with AgI in a distorted tetraÂhedral BrSe3 coordination, together with diÂchloroÂmethane solvent molÂecules. Compound (3) exhibits a linear polymeric 1∞[Cu—C≡N—Cu—] chain structure with a selenoÂimidazole moiety additionally coordinating to each CuI atom, and completed by acetoÂnitrile solvent molÂecules. Electron densities associated with an additional ether solvent molÂecule in (1) and two additional diÂchloroÂmethane solvent molÂecules in (2) were removed with the SQUEEZE procedure [Spek (2015[Spek, A. L. (2015). Acta Cryst. C71, 9-18.]). Acta Cryst. C71, 9–18] in PLATON.145Scopus© Citations 1