丙烯醛

B3LYP/6-311++G** calculations were carried out to study the trimethylamine catalyzed Baylis-Hillman reaction between acraldehyde and formaldehyde.

采用密度泛函DFT-B3LYP方法在6-311++G**基组下计算研究了三甲胺催化的丙烯醛和甲醛的Baylis-Hillman反应的微观过程，获得了两种反应通道(分别对应于顺式-丙烯醛和反式-丙烯醛)的势能面。

So we researched the relationship between the acraldehyde contamination and cooking activity. We choose four time, 9:00 and 15:00 the cooking activity is very few, so the contamination is low, but 11:30 and 17:30 the contamination is very high, this concentration is 2.6 times an much as the front one.

检测结果表明丙烯醛的浓度和烹饪活动的多少有密切的关系。9：00和15：00食堂内烹饪活动比较少，丙烯醛的浓度明显降低，而11：30和17：30是两个就餐高峰，在这两个时间段内餐厅内的丙烯醛浓度明显升高。

The main contamination in dining-room is acraldehyde.

学生食堂内主要污染物是丙烯醛，因此在学生食堂内对丙烯醛的浓度进行了检测。

The optimized structures and energies of the reactants, intermediates, transition states and products of two reaction channels (corresponding to syn-acraldehyde and anti-acraldehyde) in gas or in methanol solvent were obtained. The potential energy profiles reveal the processes of the trimethylamine-catalyzed Baylis-Hillman reaction between acraldehyde and formaldehyde in gas or in methanol solvent at the microscope level.

通过研究，获得了三种情况下两种反应通道(分别对应于顺式-和反式-丙烯醛)中涉及的反应物、产物、中间体、过渡态的优化结构及其能量，并由此得到了反应的势能面图，在电子微观层次上揭示了三甲胺催化的丙烯醛和甲醛的Baylis-Hillman反应的微观过程。

While the adsorptions of 1-propanol and 1-Br-propane at 100℃ give rise to 1-propoxy species, which mainly converted to propanal at higher temperature. IR spectrum arising from the interaction of propene with the catalyst at 100 ℃ shows the IR bands of allyl alcoholate and isopropoxy species. As the temperature was increased to 150℃, the bands ascribable to the adsorbed acetone and acrolein were observed. Based on these results, it is suggested that isopropoxy species is one of the intermediates for SOP to acrolein over MoPO/SiO〓 catalyst.

2原位IR光谱实验结果表明：200℃时丙烷/O〓混合气在催化剂表面吸附后的IR谱与同温度下异丙醇吸附的IR谱相似，均检测到吸附态丙酮物种和丙烯醛物种的IR谱峰；溴代异丙烷和异丙醇在催化剂表面吸附后均转化为异丙氧基，异丙氧基主要转化为丙烯和丙酮，丙烯进一步转化为丙烯醛；溴代正丙烷和正丙醇在催化剂表面吸附后均转化为正丙氧基，正丙氧基主要转化为丙醛；丙烯在催化剂表面吸附后转化为σ-氧烯丙基和异丙氧基，升温后σ-氧烯丙基转化为丙烯醛而异丙氧基转化为丙酮。

While the adsorptions of l-propanol and 1-Br-propane at 100 癈 give rise to 1-propoxy species, which mainly converted to propanal at higher temperature. IR spectrum arising from the interaction of propene with the catalyst at 100 癈 shows the IR bands of allyl alcoholate and isopropoxy species. As the temperature was increased to 150 癈, the bands ascribable to the adsorbed acetone and acrolein were observed. Based on these results, it is suggested that isopropoxy species is one of the intermediates for SOP to acrolein over MoPO/SiO2 catalyst.

原位IR光谱实验结果表明：200℃时丙烷／O_2混合气在催化剂表面吸附后的IR谱与同温度下异丙醇吸附的IR谱相似，均检测到吸附态丙酮物种和丙烯醛物种的IR谱峰；溴代异丙烷和异丙醇在催化剂表面吸附后均转化为异丙氧基，异丙氧基主要转化为丙烯和丙酮，丙烯进一步转化为丙烯醛；溴代正丙烷和正丙醇在催化剂表面吸附后均转化为正丙氧基，正丙氧基主要转化为丙醛；丙烯在催化剂表面吸附后转化为σ-氧烯丙基和异丙氧基，升温后σ-氧烯丙基转化为丙烯醛而异丙氧基转化为丙酮。

The progress of catalysts, which include composite-oxides catalysts and heteropoly compounds catalysts, for selective oxidation of isobutylene to methacrolein were summarized, the mechanism of this reaction on Mo-Bi catalysts was discussed.

本文综述了异丁烯选择氧化生成甲基丙烯醛催化剂，其中包括复合氧化物催化剂和杂多化合物催化剂等的研究现状，讨论了在Mo-Bi催化剂上异丁烯选择氧化生成甲基丙烯醛的反应机理。

Polyvinyl alcohol acetalizing conjugated olefine aldehyde; starch; crolein; crotonaldehyde; reaction mechanism

工程科技I，化学，高分子化学聚乙烯醇缩共轭烯醛；淀粉；丁烯醛；丙烯醛；反应机理

The results of in situ DRIFTS on propylene oxidation show that the allyl species originated from α-H abstraction of propylene were located at the wavenumbers of 1454 cm~(-1) and 1427 cm~(-1). The rate-determining step is the abstraction of an α-H abstraction from a lattice oxygen linked to a bismuth ion to form a π-allyl intermediate coordinated to a molybdenum ion. The metal-oxo group then attacks the allyl intermediate forming a σ-bonded oxygen-allyl species, which is in a rapid equilibrium with the π- bonded species. The σ-bonded species then transforms to acrolein by further abstraction of α-H. Such species as formate, carboxylate, carbonate transform to deep oxidation products. The acetone was derived from propylene by an enolic species at lower temperatures.

丙烯氧化反应体系的原位漫反射红外光谱研究结果表明，由丙烯脱氢生成的烯丙基中间物种吸收峰在1454cm~(-1)和1427cm~(-1)处；基于此提出了较完整的丙烯氧化反应网络：丙烯选择氧化生成丙烯醛主要经历丙烯脱除甲基上的一个H，生成烯丙基物种，该物种嵌氧生成σ-O络合物，脱氢得到丙烯醛前驱体，脱附生成丙烯醛；完全氧化产物是由催化剂表面上生成甲酸盐、羧酸盐、碳酸盐等形式的中间物种转化而成；较低反应温度下丙烯氧化生成丙酮，通过烯醇式中间物种氧化生成丙酮前驱体得到。

Further, the method for producing acrylamide of the present invention is characterized by hydrating acrylonitrile having a concentration of acrolein of 1 ppm or less by a microbial cell containing a nitrile hydratase or a processed product of the microbial cell in an aqueous medium.; Furthermore, the method for producing an acrylamide-based polymer of the present invention is characterized by homopolymerizing the acrylamide or by copolymerizing the acrylamide and at least one unsaturated monomer copolymerizable with the acrylamide.

本发明的制备丙烯酰胺的方法的特征在于，用含有腈水合酶的微生物的菌体或该菌体处理物使丙烯醛浓度为1ppm以下的丙烯腈在水性介质中进行水合反应。本发明的制备丙烯酰胺类聚合物的方法的特征在于均聚所述丙烯酰胺，或共聚所述丙烯酰胺和能与丙烯酰胺共聚的至少一种不饱和单体。

The split between the two groups can hardly be papered over.

这两个团体间的分歧难以掩饰。

This approach not only encourages a greater number of responses, but minimizes the likelihood of stale groupthink.

这种做法不仅鼓励了更多的反应，而且减少跟风的可能性。