Electronic structure of BeH2

Nonorthogonal single‐configuration and multiconfiguration ab initio calculations are carried out on the BeH₂ molecule in its equilibrium (D_∞h) geometry, using a highly optimized even‐tempered Slater‐type orbital (STO) basis set. The results are used as a basis for a discussion of the electronic structure of the molecule in modern‐VB terms. A value of R_e = 1.329 Å is obtained. Values are also obtained for the symmetric‐stretch harmonic frequency (2053 cm^?1), electric quadrupole moment (?5.60 Buckingham), and nuclear quadrupole coupling constants (?3.59 MHz for ⁹Be and 0.0915 MHz for ²H). © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2006     

SOLID STATE CHEMISTRY OF La_(1-x)Li_(x)MnO_3 AND RELATED COMPOUND

A series of perovskite type oxides La_(1-x)A_(x)MnO_3(x=0.1 for A=Li,Na,K;x=0.1～0.5 for A=Li)have been prepared by impregnation.Experimental results showed that the substitution of La~(3 ) by Li~ inLaMnO_(3 ?) greatly increased the selectivity to ethane and ethylene for theoxidative coupling of methane.Temperature-programmed desorption of oxygenproved the presence of oxygen vacancies in the oxide lattice.The higher Mn~(4 )/Mn_t ratio in oxide made the formation of oxygen vacancies easier on the oxidesurface.The general formula of the oxides is La_(1-x)Li_(x)Mn＇V＇_(y)O_(3-y),V=vacancy.     

Zn-mediated catalytic photoreduction of aldimines. One-pot synthesis and separation of meso and d,l C2 symmetrical diamines

A new one-pot method for the synthesis and selective separation of 1,2-diamines is reported. The methodology, which involves the photoreduction of imines using catalytic amounts of zinc as a photosensitizer, allows the direct preparation and separation of meso and d,l compounds on a multigram scale.     

全二维液相色谱（NPLC×RPLC）接口及其应用

用内径为0．53mm的填充毛细管正相液相色谱为第一维，用4．6mm（i．d．）×50mmRP-18e整体柱反相色谱为第二维，建立了定量环一阀切换接口的全二维液相色谱系统（NPLC×RPLC）．第一维色谱分离洗脱出的组分交替存储在十通阀上的两个定量环中，同时定量环中前一个组分被转移到第二维进行反相分离．因为第一维的流动相流量仅是第二维的1／500，自然解决了流动相兼容问题．采用芳香族化合物的混合物和中药丹参正己烷提取液对该全二维液相系统的分离能力进行了评价．     

A practical synthetic route to 4′-alkylaristeromycin derivatives: 4′-methylaristeromycin

(−)-(1S,4R)-4-Hydroxy-2-cyclopenten-1-yl acetate provided a convenient entry point for a 16-step chiral preparation of 4′-methylaristeromycin. This procedure is adaptable to a number of carbocyclic nucleosides with a diversity of substitution at C-4′ and C-5′ and a variety of heterocyclic bases.     

Two-dimensional double-quantum 2H NMR spectroscopy in the solid state under OMAS conditions: correlating 2H chemical shifts with quasistatic line shapes.

Solid-state 2H NMR spectroscopy is a well-established and versatile method to study molecular orientation and dynamics in selectively deuterated samples. Herein, we introduce a 2D 2H double-quantum (DQ) NMR experiment performed under fast magic-angle spinning with a slight offset of the magic angle (OMAS). The experiment combines 2H chemical-shift resolution with DQ-filtered quasistatic 2H line shapes. In this way, it is possible to separate 2H resonances and to independently determine 2H quadrupole couplings at multiple sites. While 2H chemical shifts are resolved in the 2H DQ dimension, the quadrupole parameters can be obtained from characteristic line shapes which are reintroduced in the second dimension by the magic-angle offset. The 2D 2H DQ OMAS experiment is demonstrated on L-histidine which was deuterated at multiple sites by recrystallisation from D2O.     

Unusual coupling of diynes and CO on an Ru3-cluster: Crystal structure of RU3{μ3-CPhCC(O)C(SiMe3)C(C≡CSiMe3)CCPH}(μ-dppm)(μ-CO)(CO)6

Among several products isolated in the reaction between Ru₃(μ₃-PhC₂C≡CPh)(μ-dppm)(CO)₈ and Me₃SiCэCCэCSiMe₃ was the Ru₃{μ₃-CPhCC(O)C(SiMe₃)C(C≡CSiMe₃)CCPh)(μ-ddpm)(CO)₇ complex formally obtained by coupling of the two diynes and a CO molecule on the Ru₃ framework. Other products were Ru₄(μ₄-PhC₂C≡CPh)(μ≡dppm)(CO)₁₀ and the already known complex Ru₃{μ₃-PhCCHCC(C₆H₄}(μ-dppm)(CO)₈. Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 5, pp. 1012–1016, May, 1998.     

Multifunctional coupling agents for living cationic polymerization. IV. Synthesis of end-functionalized multiarmed poly(vinyl ethers) with multifunctional silyl enol ethers

Telechelic ( 8 ) and end-functionalized four-arm star polymers ( 9 ) were synthesized through the coupling reactions of end-functionalized living poly(isobutyl vinyl ether) ( 5; DP _n ～ 10) with the bi-and tetrafunctional silyl enol ethers, H_4-nC? [CH₂OC₆H₄C(OSiMe₃) = CH₂]_n ( 3: n = 2; 4: n = 4). The precursor polymers 5 were prepared by living cationic polymerization with functionalized initiators, CH₃CH(Cl)OCH₂CH₂X(6), in conjunction with zinc chloride in methylene chloride at ?15°C. The initiators 6 were obtained by the addition of hydrogen chloride gas to vinyl ethers bearing pendant functional groups X , including acetoxy [? OC(O)CH₃], styryl (? OCH₂C₆H₄-p-CH = CH₂), and methacryloyl [? OC(O)C(CH₃) = CH₂]. The coupling reactions with 3 and 4 in methylene chloride at ?15°C for 24 h afforded the end-functionalized multiarmed polymers ( 8 and 9 ) in high yield (>91%), where those with styryl or methacryloyl groups are new multifunctional macromonomers. © 1994 John Wiley & Sons, Inc.     

OXIDATIVE COUPLING OF METHANE OVER Mn_2O_3-Na_2WO_4/SiO_2 CATALYST Ⅰ.CHARACTERIZATION OF ACTIVE SITES ON THE CATALYST

EPR and Raman spectroscopy have been used to characterize the catalyst. F-centers with EPR parameter of g=2. 0046 form when gas phase oxygen is admitted onto the catalyst reduced with methane at 800℃- Molecular oxygen plays an induced role in the electron transfer from W4 to the oxygen ion vacancy which is produced by methane reduction. Raman spectra give the further evidence for the production of lattice oxygen from molecular oxygen.