LaH分子的X1∑+态的势能函数

应用原子分析反应静力学原理导出ＬａＨ分子的电子状态和可能的离解极限,考虑相对论紧致有效势ＰＣＥＰ（Ｒｅｌａｔｉｖｉｓｔｉｃ Ｃｏｍｐａｃｔ Ｅｆｆｅｃｔｉｖｅ Ｐｏｔｅｎｔｉａｌ）近似下,用ＱＣＩＳＤ方法计算了ＬａＨ分子基态Ｘ＾１Σ＾＋的平衡几何Ｒｅ和离解能Ｄｅ为２．１２５Ａ和２．６２３ｅＶ,并在计算出来的一系列背地里点势能基础上,用正规方程组拟合Ｍｕｒｒｅｌｌ－Ｓｏｒｂｉｅ（Ｍ－Ｓ）势能函数,得     

铜蒸气激光器扩散系数的研究

推导了铜蒸气激光器带电粒子的双极扩散系数。结合铜蒸气激光器动力学模型对铜蒸气激光器动力学过程中的铜亚稳态粒子热扩散去激发及带电粒子双极扩散进行了分析。定量地给出了粒子热扩散项对铜亚稳态粒子密度及电子的双极扩散对电子密度的影响。     

Stereoselective Reduction of `Capsanthol‐3′‐ones' (=3,6′‐Dihydroxy‐β,κ‐caroten‐3′‐ones) by Complex Hydrides

The (3R,5′R,6′R)‐ and (3R,5′R,6′S)‐capsanthol‐3′‐one (=3,6′‐dihydroxy‐β,κ‐caroten‐3′‐one; 4 and 5 , resp.) were reduced by different complex metal hydrides containing organic ligands. The ratio of the thus obtained diastereoisomeric (3′S)‐capsanthols 2 and 3 or (3′R)‐capsanthols 6 and 7 , respectively, was investigated. Four complex hydrides showed remarkable stereoselectivity and produced the (3′R,6′S)‐capsanthol ( 6 ) in 80 – 100% (see Table 1). The starting materials and the products were characterized by UV/VIS, CD, ¹H‐ and ¹³C‐NMR, and mass spectra.     

Isomerization of (all‐E)‐Cucurbitaxanthin A

Cucurbitaxanthin A (=(all‐E,3S,5R,6R,3′R)‐3,6‐epoxy‐5,6‐dihydro‐β,β‐carotene‐5,3′‐diol; 1 ) was submitted to thermal isomerization and to I₂‐catalysed photoisomerization. The structure of the main reaction products (9Z)‐ ( 2 ), (9′Z)‐ ( 3 ), (13Z)‐ ( 4 ), and (13′Z)‐cucurbitaxanthin A ( 5 ) was determined by their UV/VIS, CD, ¹H‐NMR, and mass spectra.     

Aesculaxanthin,a New Carotenoid Isolated from Pollens of Aesculus hippocastanum

From the pollens of Aesculus hippocastanum, a new apocarotenoid was isolated as the main carotenoid and, based on the spectroscopic data, identified as (all-E,3R)-3-hydroxy-6′-apo-β-caroten-6′-al ( 4 , aesculaxanthin). In addition, (all-E)-lutein ( 3 ) and (all-E)-β-citraurin ( 5 ) were isolated. Furthermore, 6 (aesculaxanthol) was prepared by reduction of 4 with NaBH₄ and tentatively identified as natural carotenoid.     

Preparation of Partially Acetylated Carotenoids

Partially acetylated carotenoids were prepared from fully acetylated carotenoids by reaction with NaBH₄, and were characterized by UV/VIS, CD, ¹H‐NMR and mass spectra. The 3,6′‐diacetate, 3′,6′‐diacetate, and 6′‐acetate 10 – 12 , respectively, of (6′R)‐capsanthol (=(3R,3′S,5′R,6′R)‐β,κ‐carotene‐3,3′,6′‐triol; 4 ) were obtained from (6′R)‐capsanthol‐3,3′,6′‐triacetate ( 9 ), and the 3‐ and 3′‐acetates 13 and 14 , respectively, of 4 from (6′R)‐capsanthol 3,3′‐diacetate ( 8 ). The utility of this method was also demonstrated by the preparation of zeaxanthin and lutein monoacetates 16, 19 , and 20 .     

Acute pancreatic graft fistula and peripancreatic fluid collection: demonstration by secretin-stimulated MRI

Peripancreatic fluid collections are among the common post pancreas transplant complications, which are mainly due to leakage from the anastomosis site to bowel and graft pancreatitis. Differentiation between these two entities is important because they are treated differently.In this case, secretin stimulated magnetic resonance cholangiopancreatography revealed gradual intraperitoneal fluid collection and accumulation of fluid in small bowel excluded leakage from the anastomosis of the pancreas to bowel and changed the management from surgery to medical treatment.     

N‐Cinnamo­ylsaccharin

The title compound [systematic name: 2‐cinnamoyl‐1,2‐benzisothiazol‐3(2H)‐one 1,1‐dioxide], C₁₆H₁₁NO₄S, contains both saccharin and cinnamo­yl groups. The mol­ecule is approximately planar in the solid state, and adjacent mol­ecules are connected by C—H·O and C—H·π(phen­yl) inter­actions. In the C—H·π inter­action, the C·CgA distance is 3.916 (4) Å (CgA is the non‐fused benzene ring centroid) and the C—H·π angle is 156 (2)°. A feature of the mol­ecular geometry is the narrow C—S—N angle of 92.51 (9)° in the five‐membered ring. This angle relieves strain from the ring and makes it possible for the whole saccharin group to become quite planar.     

(2‐Hydroxy­ethyl)­hydrazinium(2+) dichloride

The crystal structure of the title compound, C₂H₁₀N₂O²⁺·2Cl⁻, is built up from one 2‐hydroxy­ethyl­hydrazinium(2+) cation and two Cl⁻ anions. The mol­ecular structure is stabilized by O—H⋯Cl and N—H⋯Cl hydrogen bonds. The crystal structure is stabilized by one N—H⋯O and three N—H⋯Cl inter­actions, and the three‐dimensional network of hydrogen bonds stabilizes the crystal packing. All five hydrazinium H atoms are involved in hydrogen bonds to Cl⁻ anions. The Cl⋯H contact distances range from 2.122 (15) to 2.809 (14) Å.     

4‐[(2‐Chloro­phenyl)­diazenyl]‐6‐methoxy‐2‐{[tris­(hydroxy­methyl)­methyl]­amino­methyl­ene}cyclo­hexa‐3,5‐dien‐1(2H)‐one

The structure of the title compound, C₁₈H₂₀ClN₃O₅, displays the characteristic features of azo­benzene derivatives. Intramolecular N—H⋯O, weak intramolecular C—H⋯O, and intermolecular O—H⋯O and C—H⋯O interactions influence the conformation of the mol­ecules and the crystal packing. Intermolecular hydrogen bonds link the mol­ecules into infinite chains, and the title compound adopts the keto–amine tautomeric form. The azo­benzene moiety of the mol­ecule has a trans configuration. The mol­ecule is not planar, and the dihedral angle between the two phenyl rings is 35.6 (2)°.