Chaotic electronic scattering with He(+)

We investigate classical electronic collisions with a He(+) ion. Scattering functions, such as the scattering angle, collisional time, or energy of the outgoing electron, all exhibit an interesting hierarchial self-similar structure, which can be interpreted in terms of the indefinite number of electronic returns to the vicinity of the nucleus, encounters between electrons, and Keplerian excursions of electrons during the collisional processes. Based on this mechanism a binary coding is introduced to organize the dynamics of this three-body system and to provide an understanding of the self-similarity among generations of scale magnification, which yields escape rates that vary with the sectional cut into the parameter space. The self-similarity displayed within a single generation, on the other hand, can be simply tied to the periods of the two independent electronic excursions. The physical interpretation and the symbolic dynamics introduced here are generally useful for three-body collisional systems, including atomic, molecular, or stellar collisions.     

Self-assembly of highly oriented one-dimensional h-WO3 nanostructures

A new self-assembled and highly oriented one-dimensional single-crystal nanostructure of WO3 with hexagonal form was successfully prepared by a mild, solution-based colloidal approach.     

Ni／γ—Al2O3,Ni／MgO,Ni／SiO2催化剂上甲烷与二氧化碳重整反应的研究

采用ＸＲＤ，ＵＶ－ＤＲＳ，ＸＰＳ，ＴＰＲ，Ｈ２－Ｏ２滴定和吡啶吸附－红外光谱等技术，研究了负载于具有不同酸碱性的γ－Ａｌ２Ｏ３，ＳｉＯ２，Ｍｇｏ载体上的镍催化剂表面物理化学性质，及其对甲烷与二氧化碳重整制取合成气反应催化活性的影响。结果表明，在上述负载型镍催化剂上，影响重整反应活性和积炭量的主要原因不是催化剂表面酸碱性，而是金属镍在催化剂表面的分散度。     

A solvothermal synthesis and the structure of K4Ag2Sn3S9 x 2KOH

A novel layered K(4)Ag(2)Sn(3)S(9) x 2KOH was synthesized solvothermally. A mixture of ethanol and HSCH(2)CH(SH)CH(2)OH was used for the synthesis. The HSCH(2)CH(SH)CH(2)OH plays an important role and appears to serve as a mineralizer for the solvothermal reaction. A layer comprises Sn(3)S(9)(6)(-) clusters linked by Ag(+) ions and possesses two types of 1D channels in which potassium ions are located. The compound crystallizes in the monoclinic P2(1)/m space group [a = 7.8071(2) A, b = 27.3508(1) A, c = 10.5008(2) A, alpha = 90 degrees, beta = 103.874(1) degrees, gamma = 90 degrees, Z = 4]. Its crystal structure, composition analysis, and IR are presented.     

Chiral Phosphinophenyloxazolines Bearing Alkoxymethyl Substituents: Synthesis and Application in the Palladium Catalyzed Allylic Substitution Reactions

The chiral phosphine‐oxazoline ligands 3 and 4 bearing 4‐alkoxymethyl substituents on the oxazoline ring with (R)‐configuration were prepared from L‐serine methyl ester in 66% and 33% yields, respectively. Along this synthetic pathway, the β‐hydroxylamides derived from L‐serine methyl ester and 2‐halobenzoyl chlorides were expediently converted to the corresponding oxazolines by using diethylaminosulfur trifluoride as the activation agent. Potassium diphenylphosphide was the reagent of choice for replacing the bromine atom on the phenyl ring, giving the desired oxazoline‐phosphine ligands 3 and 4 . Together with [Pd(η³‐allyl)Cl]₂, ligands 3 and 4 induced an enantioselective allylic substitution reaction of 1,3‐diphenyl‐2‐pro‐penyl acetate by dimethyl malonate. Although ligands 3 and 4 exhibit the (R)‐configuration, differing from the (S)‐configuration of Pfaltz‐Helmchen‐Williams phosphine‐oxazoline ligands, all these ligands led to the same enantiotopic preference in the allylic substitution reaction. To facilitate the recovery and reuse of the phosphine‐oxazoline ligand, immobilization on Merrifield resin was attempted, albeit in low loading.     

Classifying Structural Characteristics to Enhance Computation of Enthalpy of Formation of Halohydrocarbons

Density functional theory (DFT) calculations are made and least squares calibration performed for various halohydrocabons, which were 27 straight‐chain alkyl halides, 20 branch‐chain alkyl halides and 19 aromatic halides, to determine their enthalpies of formation (ΔH_f). The mean absolute error (M. |A.E.|) in ΔH_f across 66 molecular computations was only 7.8 kJ/mol (1.9 kcal/mol). Grouping the molecules by their structural characteristics improved M. |A.E.| of ΔH_f by 0.2–2.2 kJ/mol over that obtained using corresponding modified data for the same 66 unclassified molecules.     

Redetermination of (6R,7S,9S,11S)‐(–)‐sparteinium monoperchlorate

The structure of the title compound, C₁₅H₂₇N₂⁺·ClO₄^?, consists of a monoprotonated sparteinium cation and a perchlorate anion. The two tertiary N atoms of the cation, one perchlorate O atom and a H atom form a bifurcated hydrogen bond, the four hydrogen‐bonding atoms being nearly in the same plane.     

Dynamic ultrasound-assisted extraction of polyphenols in tobacco

A novel extraction method, namely dynamic ultrasound-assisted extraction, is investigated. This technique is efficient with respect to both time and solvent consumption because it utilizes ultrasonic energy in dynamic mode during extraction. Polyphenols (chlorogenic acid, esculetin, rutin, scopoletin, and quercitrin) are extracted from a tobacco (Nicotina tobaccum L.) sample for 10 min with 6 mL of solvent. Fresh solvent is continuously pumped through the sample, with which the analytes can be rapidly extracted, and the possibility of degradation efficiently avoided. Methanol involving 0.5% w/v ascorbic acid was used as extraction solvent; optimal flow rate and extraction time were investigated. The extract was cleaned up by C18 disposable cartridge. The spiked and nonspiked tobacco samples were used for the evaluation of the proposed method. Recoveries obtained were varied from 96 to 108% and RSDs from 2.0 to 4.6%. This extraction technique was revealed to recover larger amounts of polyphenols from tobacco, compared to the static ultrasound-assisted extraction method.     

Two New Pyrrolizidines from Ligularia lankongensis

Two new pyrrolizidines named lankongensisine A (1), B (2) were isolated from the roots of Ligularia lankongensis collected in Lijiang, Yunnan, and their structures were established by spectroscopic analysis.