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光异构体

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Several transient compounds were synthesized by the homo- and heterogeneous reactions of reactive halogen compounds, In-situ ultraviolet photoelectron spectroscopy and photoionization mass spectroscopy as well as theoretical calculations were used to study their molecular structures, stability and molecular orbital properties, their electronic structures and geometric structures were obtained for the first time; Simultaneously, the electronic structure and thermal dissociation of acetyl peroxynitrate and trifluoroacetyl peroxynitrate which have great importance in the atmospheric chemistry were studied; The substituent effects of series of halopyridines and halothiophenes were studied by the ultraviolet photoelectron spectroscopy method for the first time. The atmospheric chemical reaction between peroxyacetyl radicals with IO radicals as well as the dissociation of the most stable isomer of CH3COIO3 were calculated by density functional theory, it was found that the CH3COOIO2 isomer may be act as a new reservoir of inorganic iodine in the stratosphere.

通过活性卤素的系列均相与非均相化学反应合成了几种瞬态物种,采用原位紫外光电子能谱和光电离质谱结合量子化学理论计算对化合物的分子结构、稳定性以及分子轨道特性进行了研究,首次获得了这些物种的电子结构和几何结构的信息;同时研究了大气中有重要作用的乙酰过氧硝酸酯和三氟乙酰过氧硝酸酯的电子结构性质及热解过程;采用紫外光电子能谱手段首次研究了系列卤代吡啶和噻吩的取代基效应;通过量子化学理论计算研究了乙酰基过氧自由基与IO自由基的大气化学反应及其最稳定异构体CH3COOIO2的解离,发现该物种可能是无机碘化合物在平流层中的储库物种。

The ee is assessed by chiral GC and/or polarimetry.

对映异构体过量值由手性气相色谱法和/或旋光测定法测得。

Polarimetry, the measurement of optical rotation, of a pharmaceutical article may be the only convenient means for distinguishing optically active isomers from each other and thus is an important criterion of identity and purity.

药用物质的旋光测定法,即测定光学旋转的方法,也许是用于区分具有光学活性的异构体的方法中唯一简便的方法。因此,该方法是鉴别和纯度的一个重要标准。

The absorption cross section,σ_p, for λ=337.1 nm and fluorescence quantum yield,φ, of each tautomer are quite different.

各种异构体对λ=337.1 nm激发光的吸收截面σ_P和其荧光最子产额φ各不相同。

IR, UV-Vis, 1H NMR The IR, UV-Vis and 1H NMR of selenadiazoles were investigated. Their IR peaks were classified as the corresponding groups or bonds; The relation of their structure with the conjugative effects, absorbtion wavelength and molar absorb coefficients were discussed with the UV-Vis. The value of selenadiazoles in analytical chemistry and the varieties of structure with the pH were discussed.

IR,UV-Vis,~1H NMR 对硒二唑类化合物的IR吸收峰进行了归类与指认,讨论了SPO、SPDO的异构体的分子结构;探讨了UV-Vis、吸收波长和摩尔吸光系数与分子结构的相对应关系,以及紫外吸收光谱性质在分析化学上的应用价值和溶液的pH值引起SPO、SPDO的结构变化。

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