Synthesis and characterization of a nanocluster-based silver( i ) tert -butylethynide compound with a large second-harmonic generation response

A new nanocluster-based silver(i) tert-butylethynide compound, namely, (tBuC[triple bond, length as m-dash]CAg)2(Ag4SiW12O40)(DMSO)6 (HT-1), has been synthesized and structurally characterized by X-ray crystallography. The two kinds of nanocluster synthons (a silver aggregate named [(tBuC[triple bond, length as m-dash]C)2Ag6(DMSO)6] and a SiW12 polyoxoanion) are assembled into a three-dimensional coordination network, which has a non-centrosymmetric crystal lattice. Powder second-harmonic generation (SHG) measurements reveal that HT-1 belongs to the phase-matchable class with a moderately strong SHG response of about 3 times that of the KH2PO4 (KDP) sample. HT-1 represents the first example of a Ag(i) alkynyl cluster compound with a SHG response. The present study not only extends the application fields of Ag(i) alkynyl clusters but also demonstrates a new paradigm for understanding the Ag(i) alkynyl structural chemistry.