Parallel solution combustion synthesis for combinatorial materials studies

A parallel solution combustion synthesis technique was developed for combinatorial materials studies. The vigorous combustion reactions were successfully limited in the microreactors by using a substrate-net-mask microreactor system and the lowest adoptable furnace temperature. Using this technique, a luminescent materials library of Y3Al5O12/Tb(chi) was synthesized with the aid of an ink-jet delivery system. Structure and luminescence characterizations were implemented using X-ray diffraction and UV/X-ray spectroscopies, respectively. The results show that this technique is reliable and applicable to combinatorial study of powder materials with high synthesis temperature.     

A kinetic stability study of MN (MBe,Mg, Ca,Sr, and Ba)

This work describes a structure and kinetic stability study of some complexes with the general formula MN, where M are the alkaline earth metal atoms, Be, Mg, Ca, Sr, and Ba. A complex (A) with two points of attachment to the N₅ ring is the most energetically favored for all metals considered here. Except for Be, structure (B) containing a mono‐coordinated metal atom is a transition state corresponding to the metal atom transfer around the N₅ ring. Pyramidal structure (C) is kinetically unstable with the low isomerization barrier height, ranging from 0.9 to 6.7 kcal/mol. The dissociation barrier heights for the lowest energy isomers (A) are predicted to be 1.2–18.7 kcal/mol (Be to Ba), indicating that kinetic stability increases from lighter to heavier metal atoms. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004     

水热合成CdS纳米晶体的形貌控制研究

研究了水热合成CdS纳米晶体形貌的化学控制，选择不同的络合试剂为模板,研究其对水热合成CdS纳米晶体形貌的影响.实验发现若以络合试剂乙二胺、甲胺为模板时，产品CdS晶体的形貌分别为（20～30） nm×（200～600） nm和（40～50） nm×（200～600） nm尺寸的纳米棒;而以络合试剂吡啶、 氨为模板时，产品CdS晶体的形貌分别为平均尺寸约30 nm和20 nm的纳米颗粒.用XRD、TEM、XPS、PL和Raman光谱等技术对所得CdS纳米棒进行了表征.同时对水热合成CdS纳米晶体形貌的模板控制机制进行了探讨，提出了一种水热合成CdS纳米棒的络合物结构诱导生长机理.     

“能源化学”本科专业建设建议

"Energy chemistry" was approved as one of the chemistry majors for undergraduate by the Ministry of Education in 2015. Based on the ideas and ways of emerging engineering education, this paper hereby proposed some of constructive suggestions on the training objectives, graduation requirements, curriculum system, teaching contents, teaching staff and conditions for development of "energy chemistry" major.     

2,5-二甲基-4-羟基-3(2H)呋喃酮的合成

以乙酰丙酮(1)为原料，经电解氧化偶联，Paal-Knorr闭环，Baeyer-Villiger氧化，水解等步骤，合成了一种重要的杂环香料，2,5-二甲基-4-羟基-3(2H)呋喃酮(6)。     

长链脂肪酸LB膜的X射线衍射研究

利用Langmuir-Blodgett技术制备了硬脂酸、花生酸及其混合酸的多层LB膜。用低角X射线衍射研究了它们的周期结构,硬脂酸和花生酸的LB膜在2θ=0.8°～23°的范围内分别出现13个和12个布拉格衍射峰,由此计算了它们的等同周期。用模型计算了它们衍射峰的强度,得到了与实验一致的衍射强度奇偶起伏的结果。在混合酸的LB膜中,可以观察到等同周期随混合比变化的规律。     

硫化物的生物氧化成手性亚砜

描述了硫化物不对称生物氧化成手性亚砜, 主要为氯过氧化物酶、环己酮单氧酶催化有机硫化物氧化成具有光学活性的亚砜的两条酶促反应途径.     

Microwave- and photoirradiation-induced staudinger reactions of cyclic imines and ketenes generated from alpha-diazoketones. A further investigation into the stereochemical process

Reactions of ketenes generated from alpha-diazoketones with a series of acyclic and cyclic imines were investigated under both microwave and photoirradiation conditions. The results indicate that the zwitterionic azabutadiene-type intermediates yielded from imines and ketenes undergo a conrotatory ring closure exclusively to produce beta-lactams. It is notable that no Woodward-Hoffmann product was found under the ultraviolet irradiation. The photoirradiation-induced Staudinger reaction shows a different stereoselectivity from the electrocyclic reaction of substituted 1,3-butadiene.     

六氢吡啶和氨形成的氢键团簇C5H10NH(NH3)n(n=1～3)结构的从头算研究

在RHF/6-31G(d)水平下,对C5H10NH(NH3)n(n=1～3)氢键团簇的平衡构型进行了从头算研究,优化得到各种可能的平衡构型.C5H10NH(NH3)为线型氢键结构,而C5H10NH(NH3)2为三元环结构,C5H10NH(NH3)3为四元环结构.在MP2/6-31G(d)//B3LYP/6-31G(d)水平下,对最稳定构型C5H10NH(NH3)n(Ⅰ)(n=1～3)的分子轨道进行布居分析,并且对相应的占据轨道进行指认.C5H10NH(NH3)n(Ⅰ)(n=1～3)垂直电离势的计算结果表明,形成氢键团簇后,分子的垂直电离势降低.     

Determination of Fluoride in Water by Reversed-Phase High-Performance Liquid Chromatography using F−-La3+-Alizarin Complexone Ternary Complex

A method for the determination of fluoride by reversed-phase, high-performance liquid chromatography (RP-HPLC) is described. Fluoride, La³⁺ and alizarin complexone form F-La³⁺-alizarin complexone ternary complex, which is separated from the matrix on a RP, Ultrasphere C₁₈ column (250 × 4.6 mm, 5 μm) using methanol-water (19:81, v/v) mobile phase at 1.00 mL min^?1; detection at 568 nm. The calibration graph was linear from 1.0–150 ng mL^?1 for fluoride with a correlation coefficient: 0.9993 (n=6). The detection limit was 0.2 ng mL^?1. The method was successfully applied to the determination of fluoride in river and tap water. Recovery was: 94–102%, RSD in the range: 1.9 –3.6%.