A New Ionic Trimolybdenum Cluster Compound:〔Mo_3S_7(S_2P(iprO)_2)_3〕〔S_2P(iprO)_2〕

The title compound ttris-(diisopropyldithiophosphato)tris-μ-disulfidoμ3,-sulfido-cvclo-trimolybdenumj (3Mo-Mo) [diisopropyldithiophosphate], [Mo3S7 (S2P(iprO)2)3] [S2P(iprO)2] (Mr=1365. 39) is an ionic species which consists of a discretecluster cation [Mo3S7 (S2P (iprO)2)3] + (ipr = isopropyl) and an anion [S2P (iprO)2]-It was synthesized from the reaction of (NH4)2MoS4 with HS2P (iprO)2. Crystallo-graphic data for its crystal: space group for 7356 independent reflec-'tions with The structure analysis reveals that the cation contains a typical(Mo3 (μ3,-S) (μ-S2)3]+ cluster core in which three molybdenum atoms form an isoscelestriangle;the structure of the free diisopropyldithiophosphate anion [S2P (iprO)2]- isdifferent obviously from the coordinated one.

Ab Initio Study of NH_3-CH_3OH Neutral and Ionic Clusters

NH3-CH3OH system was studied by ab initio calculations at the Hartree-Fock level using the 6-31Gbasis set. Equilibrium geometries of both of its ionic (type I and II) and neutral clusters are obtained. Different dissociation channels are evaluated for I and II, respectively. The results suggest that when NH3-CH3OH is vertically ionized,CH3O + NH+ are the dominant products via a proton transfer reaction, and accompanying the dissociation of (NH3-CH3OH)+ver to NH3 + + CH3OH, intracluster charge transfer process takes place in the system.

Distinct Hydrogen-bonded M~Ⅱ(H_2O)_8 Clusters as Second Building Units for 1-D, 2-D and 3-D Supramolecular Architectures (M=Cobalt and Nickel)

Two mononuclear metal-organic complexes, [Co（Hmpdc）2（H2O）4]·4H2O 1 and [Ni（Hfmpdc）2（H2O）4]·6H2O 2, were prepared from 2,6-dimethylpyridine-3,5-dicarboxylic acid （Hzmpdc） and 4-furyl-2,6-dimethylpyridine-3,5-dicarboxylic acid （H2fmpdc） with M（NO3）2 salts, respectively, and characterized by single-crystal X-ray diffraction, elemental analyses, IR spectroscopy, and photoluminescent measurement. Complex 1 crystallizes in triclinic, space group P1 with a = 7.634（5）, b = 8.695（5）, c = 10.757（6）A, α = 69.647（7）, β = 69.957（8）, γ = 83.733（7）°, V = 628.9（7）A^3, Dc = 1. 561 g/cm^3,μ（MoKa） = 0.763 mm^-1, F（000） = 309, Z = 1, the final R = 0.0553 and wR = 0.1469 for 1909 observed reflections （Ⅰ 〉 2σ（Ⅰ））. Complex 2 crystallizes in monoclinic, space group P21/n with a = 9.5934（16）, b = 12.422（2）, c = 14.826（3） A, β = 105.201（2）°, V = 1705.0（5）A3, Dc = 1. 479 g/cm^3,μ（MoKa） = 0.655 mm^-1, F（000） = 796, Z = 2, the final R= 0.0351 and wR = 0.0889 for 2387 obsevved reflections （Ⅰ 〉 2σ（Ⅰ））. In the crystal structures of 1 and 2, diverse supramolecular motifs from 1-D chains/ladders to 3-D networks are constructed from corresponding distinct [M^Ⅱ（H2O）8] ion clusters as the second building units, respectively. The solid state compounds of 1 and 2 show similar photoluminescent spectra with emission maximum at ca.

Mesoscale structures and mechanisms in ionic liquids

Ionic liquids(ILs)have attracted intensive attention and have been used widely in many applications because of their diversified properties,which are caused by the special structure of the ILs.Ionic clusters are one of the typical structures that exist widely in the IL system.They are stable under certain conditions and change under other conditions.Ionic clusters are a typical mesoscale phenomenon in mesoscience.In this review,we summarize our recent progress related to ionic clusters,including the ionic-cluster structure,changing mechanisms,and their effect on the physicochemical properties.IL cluster investigation based on mesoscience is very important,will provide new insight into the structures and properties of ILs,and will boost further exploration of IL applications.