In chemical reaction engineering, simulations are useful for investigating and optimizing a particular reaction process or system. Recommanded Product: Cuprous thiocyanate, Name is Cuprous thiocyanate, Recommanded Product: Cuprous thiocyanate, molecular formula is CCuNS. In a article，once mentioned of Recommanded Product: Cuprous thiocyanate
Reactions of a tungsten trisulfido complex of hydridotris(3,5- dimethylpyrazol-1-yl)borate (Tp*) [Et4N][Tp*WS 3] (1) with 3 equiv of CuCl in CHCl3 afforded a tetranuclear anionic cluster [Et4N][Tp*W(mu3-S) 3(CuCl)3] (2), while that of 1 with 3 equiv of CuNCS in MeCN produced a decanuclear neutral cluster (major product) [Tp*W(mu3-S)3Cu3(mu-NCS) 3(CuMeCN)]2 (3) along with a binuclear anionic cluster (minor product) [Et4N][Tp*WO(mu-S)2(CuNCS)] (4). Solvothermal reactions of 1 with 3 equiv of CuCN in MeCN at 80C for 48 h followed by slowly cooling it to ambient temperature gave rise to a polymeric cluster [Tp*W(mu3-S)(mu-S)2Cu 2(MeCN)(mu-CN)]n (5). Compounds 2-5 were characterized by elemental analysis, IR, UV-vis, 1H NMR, and single-crystal X-ray crystallography. The cluster anion of 2 has a [Tp*WS3Cu 3] incomplete cube with one Cl atom coordinated at each Cu center. 3 is composed of an unprecedented centrosymmetric W2Cu8 cluster core in which each void of the two single incomplete cubane-like [Tp*W(mu3-S)3Cu3(mu-NCS)] + cations is partially filled with an extra [Cu(MeCN)(mu-NCS) 2]- anion via a pair of Cu-mu-NCS-Cu bridges. The cluster anion of 4 contains one WS2Cu core that is formed by an oxidized [Tp*WO-(mu-S)2] species and one CuNCS fragment. 5 consists of butterfly shaped [Tp*W(mu3-S)(mu-S) 2Cu2(MeCN)] fragments that are interconnected via cyanide bridges to form a 1D spiral chain extending along the c axis. The successful synthesis of 2-5 from 1 suggests that 1 may be an excellent synthon to the W/Cu/S clusters. In addition, the third-order nonlinear optical (NLO) properties of 1-3 in solution were also investigated by femtosecond degenerate four-wave mixing (DFWM) technique with a 80 fs pulse width at 800 nm. Although 2 was not detected to have NLO effects, 1 and 3 exhibited relatively good optical nonlinearities with the nonlinear refractive index n2 and the third-order nonlinear optical susceptibility chi(3) values being 0.79 × 10-13 and 0.38 × 10-14 esu (1) and 2.08 × 10-13 and 1.00 × 10-14 esu (3), respectively. The second-order hyperpolarizability gamma value for 3 (5.46 × 10-32 esu) is ca. 5 times larger than that of its precursor 1.
Note that a catalyst decreases the activation energy for both the forward and the reverse reactions and hence accelerates both the forward and the reverse reactions.Recommanded Product: Cuprous thiocyanate, you can also check out more blogs aboutRecommanded Product: Cuprous thiocyanate
Reference：
Copper catalysis in organic synthesis – NCBI,
Special Issue “Fundamentals and Applications of Copper-Based Catalysts”