P2_1m相掺钕钼酸钆晶体的结构

标题的晶体是采用提拉法得到的,单晶Ｘ射线结构分析表明：化合物分子式（Ｎｄ０．０２３Ｇｄ０．９７７）２（ＭｏＯ４）３ 晶体属于四方晶系,空间群为Ｐ４２１ｍ , ａ＝ ｂ＝ ７．３５５６（１０） ,ｃ＝ １０．６８５（２）, Ｚ＝ ２,Ｄｃ＝ ４．５６３ｇ／ｃｍ ３,Ｍｒ ＝ １５８５．６４, Ｆ（０００）＝ ７００．００, μ（ＭｏＫα）＝ １４．５２７ｃｍ － １,Ｒ＝ ０．０４６３, ｗ Ｒ＝ ０．０９５３,衍射点数为６４５。Ｇｄ（Ｎｄ）原子为七配位,Ｍｏ 原子为四配位。     

[NEt4][CoCl3(PPh3)]的合成和晶体结构

标题化合物是反应体系（ＮＨ４）３ＶＳ４／ＣｏＣ２（ＰＰｈ３）２／ＮＥｔ４Ｃｌ在ＣＨ２ＣＩ２中反应而得到的,单晶Ｘ射线结构分析表明其晶体地立方晶系,化学式为Ｃ２６Ｈ３５ＮＣｌ３ＣｏＰ,空间群为Ｐａ３,Ｍｒ＝５５７．８４,ａ＝１７．８０７（５）,Ａ,Ｖ＝５６４６．４Ａ＾３,Ｚ＝８,Ｄｃ＝１．３１ｇ／ｃｍ＾３,Ｆ（０００）＝２３２８,μ（ＭｏＫａ）＝９．６ｃｍ＾－１,Ｒ＝０．０６２,Ｒｗ＝０．０６７,标     

（C5H7S2）3[Bi2Cl9）]的合成和晶体结构

标题化合物由ＢｉＣｌ３和乙酰丙酮在ＨＣｌ（气）／Ｃ２Ｈ５ＯＨ溶剂中通入Ｈ２Ｓ气体反应而得。晶体属四方晶系，Ｍｔ＝１１３０．７６，空间群Ｐ４１２１２。晶胞参数ａ＝ｂ＝８．８６７（２），ｃ＝４１．５１１（４）Ａ；Ｖ＝３２６４（１）Ａ＾３，Ｚ＝４，Ｄｃ＝２．３０ｇｃｍ＾－３，μ（ＭｏＫａ）＝１１８．６０７ｃｍ＾－１，Ｆ（０００）＝２１０４．晶结构由重原子法求得。最终偏离因子Ｒ＝０．０７２。晶体由分立的（     

三硒化二饵Er2Se3的合成与结构

采用高温固相反应和化学气相传输法合成三硒化二饵，晶体属于四方晶系Ｍｒ＝５７１．４０，空间群为Ｐ４／ｎｍｍ，ａ＝３．９８４（１），ｃ＝８．２２８（３），Ａ，Ｖ＝１３０．５９（７）Ａ＾３，Ｚ＝１，Ｄｃ＝７．２７ｇ／ｃｍ＾３，Ｆ（０００）＝２３８，μ（ＭｏＫａ）＝５２８．８６ｃｍ＾－１，对于１８７个Ｉ≥３σ（１）的独立衍射点，最后偏离因子Ｒ＝０．０６６，Ｒｗ＝０．０７８，化合物Ｅｒ２Ｓｅ３的晶体结构是由     

Mn（Ⅲ）—苯甲酰丙酮缩乙二胺—有机碱配合物的合成及结构

合成了４种锰（Ⅲ）－苯甲酰丙酮缩乙二胺－有机碱配合物：Ｍｎ（ｂｚａｃｅｎ）ＬＣｌＯ４．（Ｌ为哌嗪，吡啶，γ－甲基吡啶和乙腈）。测定了配合物［Ｍｎ（ｂｚａｃｅｎ）（ＣＨ３ＣＮ）ＣｌＯ４］的结构，晶体属正交晶系。空间群Ｐｎｍａ。晶胞参数：ａ＝０．９０７７（１），ｂ＝１．５５６３（１）ｎｍ，ｃ＝１．７２０５（２）ｎｍ，Ｖ＝２．４３０５ｎｍ＾３，Ｚ＝４，Ｄｃ＝１．４８ｇ／ｃｍ＾３，Ｄｍ＝１．４９ｇ／ｃｍ＾     

（Y（NTO）2NO3（H2O）5）.2H2O的制备,晶体结构和热分解机理的…

合在了（Ｙ（ＮＴＯ）２ＮＯ３（Ｈ２Ｏ）５）．２Ｈ２Ｏ（ＮＴＯ为３－硝基－１，２，４－三唑－５－酮）并测定了晶体结构，晶体属单斜晶系，空间群Ｃｍ，晶胞参数：ａ＝０．６７７３（２）ｎｍ，ｂ＝２．０８６６（２）ｎｍ，ｃ＝０．６５５１（１）ｎｍ；β＝１０２．９８（２）°Ｖ＝０．９０２１（１）ｎｍ＾３，Ｚ＝２，Ｄｃ＝１．９７０ｇ．ｃｍ＾－３，μ＝３３．４９ｃｍ＾－１，Ｆ（０００）＝５４０，Ｒ＝０．０３２，中     

2－（1，3－亚丙二硫基）亚甲基环己酮的晶体结构

报导了标题化合物Ｃ_（１０）Ｈ_（１４）ＯＳ_２（Ｍ_ｒ＝２１４．３５）的晶体结构，该晶体属正交晶系，空间群为Ｐ２_１２_１２_１，晶胞参数为ａ＝６．４４３（３），ｂ＝８．９８０（４），ｃ＝１８．２１３（７）；Ｖ＝１０５３．８（６）３；Ｚ＝４，Ｄ_ｘ＝１．３５ｇ／ｃｍ~３，Ｆ（０００）＝４５５，μ＝４．５ｃｍ~（－１）（ＭｏＫａ）。最终偏离因子Ｒ＝０．０３３，Ｒ_ｗ＝０．０３４。分子中的两支Ｃ_（ｓｐ）２－Ｓ键键长近于相等，分别为１．７６１（３）和１．７６９（３），Ｃ（１）－Ｃ（５）键长为１．３６１（４）。     

2－（1，3－亚丙二硫基）亚甲基环己酮的晶体结构

报导了标题化合物Ｃ_（１０）Ｈ_（１４）ＯＳ_２（Ｍ_ｒ＝２１４．３５）的晶体结构，该晶体属正交晶系，空间群为Ｐ２_１２_１２_１，晶胞参数为ａ＝６．４４３（３），ｂ＝８．９８０（４），ｃ＝１８．２１３（７）；Ｖ＝１０５３．８（６）３；Ｚ＝４，Ｄ_ｘ＝１．３５ｇ／ｃｍ~３，Ｆ（０００）＝４５５，μ＝４．５ｃｍ~（－１）（ＭｏＫａ）。最终偏离因子Ｒ＝０．０３３，Ｒ_ｗ＝０．０３４。分子中的两支Ｃ_（ｓｐ）２－Ｓ键键长近于相等，分别为１．７６１（３）和１．７６９（３），Ｃ（１）－Ｃ（５）键长为１．３６１（４）。     

1,3,3a,5—四苯基—3a,4,5,11—四氢—3H,6H—1,2,4—三唑并（ …

通过２，４－二苯基－２，３－二氢－１Ｈ－１，５－苯并二氮杂Ｚｕｏ与苯甲酰氯苯腙的（２＋３）环加成反应制备了标题化合物，用Ｘ射线单晶衍射仪测定了其晶体结构，晶体属正交晶系，空间群为Ｆｄｄ２．晶胞参数；ａ＝１．７６２８（４）ｎｍ，ｂ＝５．７５１２（１２）ｎｍ，ｃ＝１．０２２７ｎｍ，Ｖ＝１０．３６８（５）ｎｍ＾３，Ｚ＝１６，Ｄｃ＝１．２６２ｇ．ｃｍ＾－３，μ＝０．０７５ｍｍ＾－１，Ｆ（０００）＝４１６０     

一经式异构体[Co(N-(3-Aminopropyl)-1,3-propanediamine)(1,2-diamino-2-methylpropane)Cl][ZnCl4]·2H2O的合成及晶体结构

用过氧化物法合成了新体系［ Ｃｏ（ ３, ３－ｔｒｉ）（ ｉｂｎ） ＣＩ］［ ＺｎＣｌ４］（ ３, ３－ｔｒｉ＝ Ｎ－（ ３－Ａｍｉｎｏｐｒｏｐｙｌ）－ １, ３－ｐｒｏｐａｎｅｄｉａ－ｍｉｎｅ; ｉｂｎ＝１, ２－ｄｉａｍｉｎｏ－２－ｍｅｔｈｙｌｐｒｏｐａｎｅ）中的一经式异构体［Ｃｏ（３, ３ｔｒｉ）（ｉｂｎ）ＣＩ］［ＺｎＣｌ４］·２Ｈ２Ｏ,解析了其晶体结构。晶体学参数：三斜晶系,空间群Ｐ１（＃２）,ａ＝９９．５８（２）ｎｍ,ｂ＝１１４．８３（２）ｎｍ,ｃ＝９８．８１（１）ｎｍ,ａ＝９６．７９（２）°,β＝９７．２４３（１０）°,ｙ＝９６．８９（１）°,Ｖ＝１．１０５５（３）Ｘ １０６ｎｍ３,Ｄｅ＝１．６７８ｇ·ｃｍ－３,Ｚ＝２,Ｆ０００＝５７２．００,μ（ Ｍｏ Ｋａ）＝ ２４． ５９ｃｍ－１, Ｒ＝ ０． ０２５, Ｒｗ＝ ０． ０３４。晶胞中含 ２个配位阳离子, ２个 ［ＺｎＣｌ４］２－阴离子及 ４个水分子。     

LiMn3(SeO3)2(HSeO3)6

The title compound, lithium trimanganese bis­[trioxo­selenate(IV)] hexa­kis[hydrogentrioxoselenate(IV)], is built up from a vertex‐sharing network of distorted Mn^IIIO₆ octa­hedra, SeO₃ and HSeO₃ pyramids and unusual Li(OH)₆ octa­hedra, resulting in a dense three‐dimensional structure. Mn, Li and one Se atom have site symmetries of , , and 3, respectively. An O—H⋯O hydrogen bond helps to establish the crystal packing.     

Tris(tris(trimethylsilyl)silyl)gallium,Ga{Si(Si(CH3)3)3}3

The title compound has been prepared in good yield by the reaction of gallium trichloride with base‐free hypersilyl lithium (Li–Si(SiMe₃)₃, Me = CH₃) in a 1 : 3 molar ratio. Ga(Si(SiMe₃)₃)₃ is monomeric in solution and in the solid state. The compound has been characterized with NMR, IR and Raman techniques as well as by an X‐ray structure determination (planar GaSi₃‐skeleton, monoclinic space group P2₁/c, Z = 4, d(Ga–Si) = 249,8 ± 0,2 pm).     

Spectroscopic properties of Er(3+)/Yb(3+) co-doped Bi(2)O(3)-B(2)O(3)-GeO(2) glasses

Er(3+)/Yb(3+) co-doped 60Bi(2)O(3)-(40 - x)B(2)O(3)-xGeO(2) (BBG; x=0, 5, 10, 15 mol%) glasses that are suitable for fiber lasers, amplifiers have been fabricated and characterized. The absorption spectra, emission spectra, and lifetime of the (4)I(13/2) level and quantum efficiency of Er(3+):(4)I(13/2) --> (4)I(15/2) transition were measured and calculated. With the substitution of GeO(2) for B(2)O(3), both Delta lambda(eff) and sigma(e) decrease from 75 to 71 nm and 9.88 to 8.12 x 10(-21) cm(2), respectively. The measured lifetime of the (4)I(13/2) level and quantum efficiency of Er(3+):(4)I(13/2) --> (4)I(15/2) transition increase from 1.18 to 1.5 ms and 36.2% to 43.2%, respectively. The emission spectra of Er(3+):(4)I(13/2) --> (4)I(15/2) transition was also analyzed using a peak-fit routine, and an equivalent four-level system was proposed to estimate the stark splitting for the (4)I(15/2) and (4)I(13/2) levels of Er(3+) in the BBG glasses. The results indicate that the (4)I(13/2) --> (4)I(15/2) emission of Er(3+) can be exhibit a considerable broadening due to a significant enhance the peak A, and D emission.     

Schwingungsspektren und Kraftkonstanten der Übergangsreihen OP(N(CH3)2)3 – OP(CH3)3 und SP(N(CH3)2)3 – SP(CH3)3

Vibrational Spectra and Force Constants of the Series OP(N(CH₃)₂)₃ – OP(CH₃)₃ and SP(N(CH₃)₂)₃ – SP(CH₃)₃ The vibrational spectra (IR and Raman) of the compounds of the title series are recorded and assigned to the normal vibrations. By a simplified force field the valence force constants are calculated and discussed. The results are compared with those of the NMR spectroscopy.     

Hyperfine structures of the 2 (3)Sigma(g) (+), 3 (3)Sigma(g) (+), and 4 (3)Sigma(g) (+) states of Na(2)

The hyperfine structures of the 2 (3)Sigma(g) (+), 3 (3)Sigma(g) (+), and 4 (3)Sigma(g) (+) states of Na(2) have been resolved with sub-Doppler continuous wave perturbation facilitated optical-optical double resonance spectroscopy via A (1)Sigma(u) (+) approximately b (3)Pi(u) mixed intermediate levels. The hyperfine patterns of these three states are similar. The hyperfine splittings of the low rotational levels are all very close to the case b(betaS) limit. As the rotational quantum number increases, the hyperfine splittings become more complicated and the coupling cases become intermediate between cases b(betaS) and b(beta J) due to spin-rotation interaction. We present a detailed analysis of the hyperfine structures of these three (3)Sigma(g) (+) states, employing both case b(betaS) and b(beta J) coupling basis sets. The results show that the hyperfine splittings of the (3)Sigma(g) (+) states are mainly due to the Fermi-contact interaction. The Fermi contact constants for the two d sigma Rydberg states, the 2 (3)Sigma(g) (+) and 4 (3)Sigma(g) (+), are 245+/-5 MHz and 225+/-5 MHz, respectively, while the Fermi contact constant of the s sigma 3 (3)Sigma(g) (+) Rydberg state is 210+/-5 MHz. The diagonal spin-spin and spin-rotation constants, and nuclear spin-electronic spin dipolar interaction parameters of the 3 (3)Sigma(g) (+) and 4 (3)Sigma(g) (+) states are also obtained.     

Li(VO2)3(TeO3)2

The title compound, lithium tris[dioxidovanadium(V)] bis[trioxidotellurium(IV)], contains chains of edge‐sharing distorted VO₆ octahedra. The pyramidal TeO₃ groups crosslink the chains into sheets. Finally, an Li⁺ cation adopting an unusual capped trigonal–bipyramidal LiO₆ geometry bridges the layers to complete a three‐dimensional structure.     

Interactions in the Quinary System H2O-Y(NO3)3-La(NO3)3-Pr(NO3)3-Nd(NO3)3 to Very High Concentrations

Isopiestic measurements have been carried out for the quinary system H₂O-Y(NO₃)₃-La(NO₃)₃-Pr(NO₃)₃-Nd(NO₃)₃ at 298.15 K to near saturation. The measurements can be represented within experimental uncertainty over the full concentration range by a modified Pitzer ion-interaction model extending to the C ⁽³⁾ term. In addition, the system obeys the Zdanovskii–Stokes–Robinson model or partial ideal solution model within the accuracy of the isopiestic measurements, indicating zero interchange energy between the unlike salts, which is consistent with the nature of trivalent rare-earth elements.     

Bis(trifluoroacetyl) peroxide, CF(3)C(O)OOC(O)CF(3)

Pure, highly explosive CF(3)C(O)OOC(O)CF(3) is prepared for the first time by low-temperature reaction between CF(3)C(O)Cl and Na(2)O(2). At room temperature CF(3)C(O)OOC(O)CF(3) is stable for days in the liquid or gaseous state. The melting point is -37.5 degrees C, and the boiling point is extrapolated to 44 degrees C from the vapor pressure curve log p = -1875/T + 8.92 (p/mbar, T/K). Above room temperature the first-order unimolecular decay into C(2)F(6) + CO(2) occurs with an activation energy of 129 kJ mol(-1). CF(3)C(O)OOC(O)CF(3) is a clean source for CF(3) radicals as demonstrated by matrix-isolation experiments. The pure compound is characterized by NMR, vibrational, and UV spectroscopy. The geometric structure is determined by gas electron diffraction and quantum chemical calculations (HF, B3PW91, B3LYP, and MP2 with 6-31G basis sets). The molecule possesses syn-syn conformation (both C=O bonds synperiplanar to the O-O bond) with O-O = 1.426(10) A and dihedral angle phi(C-O-O-C) = 86.5(32) degrees. The density functional calculations reproduce the experimental structure very well.