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Bridging the Laboratory-to-Industry Gap: An International Project-Based Learning Model for Hydrogen Plant Conceptual Design 弥合实验室到工业的差距:氢工厂概念设计的国际项目为基础的学习模式
IF 3 3区 教育学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-10-13 Epub Date: 2026-09-07 DOI: 10.1021/acs.jchemed.6c00376
Aurora Pérez-Gramatges, Amanda L. T. Brandão, Andrew S. Nelson, Marvin Ricaurte

The global energy transition requires a workforce inthe chemicalsciences and engineering capable of bridging the laboratory-to-industrytraining gap. This paper presents an international joint Project-BasedLearning (PBL) model involving undergraduate students from universitiesin Brazil and Ecuador, who collaborated on the conceptual engineeringdesign of large-scale green hydrogen production plants for the urbantransport sector. Following a PBL framework, three international teamsintegrated core chemical engineering principles with emerging technologiesby utilizing basis of design and engineering criteria, simulationtools, and economic indicators to assess project feasibility. Thepedagogical value of this model was evaluated through a student perceptionsurvey focusing on student-reported learning, in which 86% of participantsrecognized high perceived learning and 85.7% recommended the interuniversityformat, despite logistical and linguistic hurdles. Subsequently, thetechnical outputs were subjected to an external evaluation by an industrialexpert who validated the realism of the design bases and the rigorof the techno-economic assessments. The results suggested that whileinternational PBL initiatives challenge traditional curriculum structures,they can provide a pathway to bridge the gap between academic theoryand industrial reality. In doing so, the framework can foster thetechnical and transversal skills needed for future professionals tohelp lead the global energy transition. Ultimately, this study offersa proof-of-concept for an adaptable, international PBL framework thatcan be implemented across diverse institutional contexts and scaledto other fields of knowledge.

全球能源转型需要化学科学和工程方面的劳动力,能够弥合实验室到工业的培训差距。本文介绍了一个国际联合项目学习(PBL)模式,涉及来自巴西和厄瓜多尔大学的本科生,他们合作为城市交通部门设计了大型绿色制氢工厂的概念工程设计。在PBL框架下,三个国际团队通过利用设计和工程标准、模拟工具和经济指标,将核心化学工程原理与新兴技术相结合,评估项目可行性。该模式的教学价值是通过一项关注学生报告学习的学生感知调查来评估的,其中86%的参与者认可高感知学习,85.7%的参与者推荐跨大学模式,尽管存在后勤和语言障碍。随后,技术产出由一位工业专家进行外部评估,该专家验证了设计基础的现实性和技术经济评估的严谨性。结果表明,虽然国际PBL倡议挑战了传统的课程结构,但它们可以为弥合学术理论和工业现实之间的差距提供一条途径。在这样做的过程中,该框架可以培养未来专业人士所需的技术和横向技能,以帮助领导全球能源转型。最终,本研究为适应性强的国际PBL框架提供了概念验证,该框架可以在不同的制度背景下实施,并扩展到其他知识领域。
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引用次数: 0
Undergraduate Laboratory Experiment: Molecular Organic Photocatalyst Synthesis and Its Application in Energy Transfer Photocatalytic E→Z Isomerization of Enone 本科实验:分子有机光催化剂的合成及其在烯酮E→Z异构化能量转移中的应用
IF 3 3区 教育学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-10-13 Epub Date: 2026-09-15 DOI: 10.1021/acs.jchemed.5c01842
Jili Bi, Yejia Song, Ransong Ma, Yulai Hu

This experimental design is tailored for third-year undergraduatestudents majoring in chemistry and materials science. It integratesthe synthesis of the molecular organic photocatalyst 4CzIPN with itsapplication in energy-transfer photocatalysis into a continuous experimentalsequence. Students synthesize the molecular organic photocatalyst4CzIPN through a nucleophilic aromatic substitution reaction underanhydrous and oxygen-free conditions and apply it to the contra-thermodynamic E→Z isomerization of (E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one ((E)-4′-methoxychalcone) driven by visible light. Theexperiment strengthens interdisciplinary knowledge integration (inorganic,organic, physical, and analytical chemistry) while focusing on keyskills such as Schlenk-line operation, column chromatography purification,TLC monitoring, and NMR quantitative analysis. By analyzing the correlationbetween reaction mechanisms and the photophysical properties of thecatalyst, students gain an understanding of the crucial role of Dexterenergy transfer in achieving contra-thermodynamictransformations. This design utilizes visible light as a sustainableenergy source and enhances students’ in-depth understandingof green photocatalysis and energy conversion through modular training(synthesis, purification, isomerization, and mechanistic analysis).

本实验设计是为化学与材料科学专业本科三年级学生量身定制的。将分子有机光催化剂4CzIPN的合成及其在能量转移光催化中的应用整合为一个连续的实验序列。学生在无水无氧条件下通过亲核芳代取代反应合成了分子有机光催化剂4czipn,并将其应用于可见光驱动下(E)-1-(4-甲氧基苯基)-3-苯基丙-2-en-1-one ((E)-4′-甲氧基查尔酮)的反热力学E→Z异构化反应。该实验加强了跨学科的知识整合(无机、有机、物理和分析化学),同时重点关注施连克线操作、柱层析纯化、TLC监测和核磁共振定量分析等关键技能。通过分析反应机理与催化剂光物理性质之间的关系,使学生了解灵巧能传递在实现对热转化过程中的重要作用。本设计利用可见光作为可持续能源,通过模块化训练(合成、纯化、异构化、机理分析),加深学生对绿色光催化和能量转换的深入理解。
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引用次数: 0
Facile and Greener Mechanochemical Synthesis of Paracetamol: An Easy-to-Perform and Much-to-Learn Experiment for Secondary and Postsecondary Students 对乙酰氨基酚的机械化学合成:一个对中学生和大专学生简单易学的实验
IF 3 3区 教育学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-10-13 Epub Date: 2026-09-29 DOI: 10.1021/acs.jchemed.5c01675
Azharudin Khursheed, Zaffar Mehraj, Burhan Mehraj, Shayista Farooq, Zarqah Ashraf, Saira Gulzar, Humaira Iqbal, Afzal Hussain, Mohamed F. Alajmi, Prince Firdous Iqbal, Akhtar Hussain Malik, Waheed Ahmad Khanday, Jahangir Ahmad Rather, Abdul Haleem Wani, Waseem A. Wani

Paracetamol is a well-known drug used as analgesic andantipyretic.The synthesis of paracetamol is an important experiment in the syllabiof secondary and postsecondary courses of different universities,world over. Generally, it is prepared by reacting p-aminophenol with acetic anhydride in the presence of a catalyticamount of pyridine and sulfuric acid. The usage of pyridine and sulfuricacid makes the synthesis hazardous and therefore, unsafe for students.Green chemistry is being taught as a core paper to secondary and postsecondarystudents, globally. Green chemistry approaches can be employed forthe laboratory synthesis of paracetamol, whereby the use of pyridineand acid can be avoided to make the reaction comparatively safer forstudents. Taking into account the importance of green chemistry approachesand the synthesis of paracetamol as a laboratory experiment, thispaper reports a facile and greener mechanochemical laboratory experimentfor the synthesis of paracetamol by reacting p-aminophenolwith acetyl chloride. The identification of the synthesized paracetamolwas ascertained by comparison of its physical properties (physicalstate, appearance, melting point, and solubility) and chromatographicproperties (thin-layer chromatography) with paracetamol extractedfrom Dolo-650 tablets. In addition, the identification of paracetamolwas ascertained by simple chemical tests (ferric chloride and oxidationwith potassium dichromate). This experiment serves as an interestinginstructive approach for understanding mechanochemical organic synthesis,green chemistry, drug extraction from solid dosage formulations, identificationof organic drugs from property comparison with standard drugs, andsimple chemical tests without using high-end characterization techniques.

扑热息痛是一种众所周知的止痛解热药物。扑热息痛的合成是世界各国大学中专课程教学大纲中的一项重要实验。通常,它是由对氨基苯酚与乙酸酐在一定量的吡啶和硫酸的催化下反应制备的。吡啶和硫酸的使用使得合成过程危险,因此对学生不安全。在全球范围内,绿色化学被作为一门核心论文教授给中学生和大学生。对乙酰氨基酚的实验室合成可以采用绿色化学方法,可以避免使用吡啶和酸,使反应对学生相对安全。考虑到绿色化学方法的重要性和对乙酰氨基酚的合成是一个实验室实验,本文报道了一个简单而绿色的对乙酰氨基酚与乙酰氯反应合成对乙酰氨基酚的机械化学实验室实验。通过将合成的扑热息痛的物理性质(物理状态、外观、熔点和溶解度)和色谱性质(薄层色谱)与Dolo-650片中提取的扑热息痛进行比较,确定了合成的扑热息痛的鉴别。此外,通过简单的化学试验(氯化铁和重铬酸钾氧化)确定了对乙酰氨基酚的鉴定。本实验为理解机械化学有机合成、绿色化学、从固体剂型中提取药物、从标准药物的性质比较中识别有机药物以及不使用高端表征技术的简单化学测试提供了一个有趣的指导方法。
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引用次数: 0
Bridging the Gap Between Study Skills and the First-Year Chemistry Curriculum 弥合学习技巧与一年级化学课程之间的差距
IF 3 3区 教育学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-10-13 Epub Date: 2026-09-01 DOI: 10.1021/acs.jchemed.5c01302
Gretchen M. Adams, Elise M. McCarren

GeneralChemistry I remains a gateway course for students in STEMfields, with many students dropping out of the course or switchingto non-STEM fields after an unsuccessful first semester. The purposeof this article is to provide a framework for improving student performancein general chemistry using direct instruction in study strategies,specifically generative learning strategies. Twelve video-based modulesteaching generative learning strategies applied directly to first-yearchemistry concepts were implemented with 149 students at an undergraduate-focuseduniversity during the fall 2023 and fall 2024 semesters. These modules,which were integrated into a course management system, provided instructionand engagement in six separate literature supported strategies andtheir direct applications to course chemistry content. Strategiesincluded comparing and contrasting diagrams, drawing, learning byteaching, making inferences, summarizing, and predicting via estimation.Use of these strategies provides insight into skills required formastery of first year chemistry and also establishes a mechanism forimplementing these strategies as a student support tool. The structureof these modules requires a small instructor time commitment afterinitial implementation and is a nonintrusive way to teach studentshow to apply study strategies to learning chemistry. Example coursematerial used in the video modules along with preliminary assessmentoutcomes, suggestions for implementation, and future study are provided.

通用化学I仍然是stem领域学生的入门课程,许多学生在第一学期不成功后退学或转到非stem领域。本文的目的是提供一个框架,通过直接指导学习策略,特别是生成性学习策略,来提高学生在普通化学方面的表现。在2023年秋季和2024年秋季学期,一所本科大学的149名学生实施了12个基于视频的模块教学生成学习策略,这些策略直接应用于一年级化学概念。这些模块被整合到课程管理系统中,提供六种独立的文献支持策略的指导和参与,并将其直接应用于课程化学内容。策略包括比较和对比图表、绘图、教中学、推断、总结和通过估计预测。这些策略的使用提供了对第一年化学专业所需技能的深入了解,并建立了作为学生支持工具实施这些策略的机制。这些模块的结构需要一个小的教师时间承诺后,初步实施,是一种非侵入性的方式来教学生如何应用学习策略来学习化学。提供了视频模块中使用的示例课程材料以及初步评估结果,实施建议和未来研究。
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引用次数: 0
Teaching the Concepts of Donnan Potential and Liquid-Junction Potential by Evaluating Homemade pH and Ion-Sensitive Probes Constructed Using Commercial Ion-Exchange Membranes and Reference Electrodes 通过评价用商业离子交换膜和参考电极构建的自制pH和离子敏感探针,讲授唐南电位和液结电位的概念
IF 3 3区 教育学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-10-13 Epub Date: 2026-08-31 DOI: 10.1021/acs.jchemed.5c00308
William Gaieck, Anni Zhang, Ashley C. Sabatose, Madison T. Ngo, Gaurav Jha, Eric Schwartz, William White, Simon Luo, Peter McPartlan, Leanna Schulte, Yixian Wang, Shane Ardo

Transport of ions across membranes or separators canresult inelectric potential differences that are sensed in most electrochemicalexperiments and impact the interpretation of the experimental results.To assist in comprehending the underlying causes and expected valuesof these electric potential differences, we designed, implemented,and evaluated hands-on laboratory experiments that were performedby undergraduate and graduate students in electroanalytical chemistrycourses. The experiments require that students construct a simpletwo-compartment electrochemical cell using plastic cuvettes, a polymericion-exchange membrane, two reference electrodes placed in aqueouselectrolytes that wet each side of the membrane, and a voltmeter ora potentiostat to measure the open-circuit potential between the electrodes.Open-circuit potentials measured between commercially available Ag/AgClreference electrodes report on total Donnan and liquid-junction potentials.These electric potential differences are dictated by the compositionof ions in each liquid electrolyte through interactions with the ion-exchangemembrane and porous frits at the tip of each reference electrode.When reference electrodes consist of wires immersed directly in theliquid electrolytes, measured open-circuit potentials include contributionsfrom Nernst potentials, which arise from electric double layer chargingat each electrode interface driven by chemical potentials of redox-activespecies in the liquid electrolytes. While these experiments are suitablefor most upper-level undergraduate students in STEM, the conceptsof Donnan and liquid-junction electric potential differences and chemicalpotentials are advanced enough to educate graduate students and seniorresearchers alike. Student feedback obtained using surveys administeredbefore and after the laboratory experiments provides additional guidanceto instructors who plan to implement these experiments.

离子在膜或隔膜上的传输会导致电位差,这种电位差在大多数电化学实验中都能感觉到,并影响实验结果的解释。为了帮助理解这些电位差的潜在原因和期望值,我们设计、实施和评估了电分析化学课程中本科生和研究生的动手实验室实验。实验要求学生使用塑料试管,一个聚合交换膜,两个放置在湿膜两侧的水电解质中的参考电极,以及一个电压表或恒电位器来测量电极之间的开路电位。在市售的银/银参考电极之间测量的开路电位报告了总唐南电位和液结电位。这些电位差是由每种液体电解质中的离子组成决定的,通过与每个参考电极尖端的离子交换膜和多孔熔块的相互作用。当参考电极由直接浸入液体电解质中的导线组成时,测量的开路电位包括能量势的贡献,能量势是由液体电解质中氧化还原活性物质的化学势驱动的每个电极界面上的双电层充电产生的。虽然这些实验适合大多数STEM高年级本科生,但Donnan和液结电位差和化学势的概念已经足够先进,足以教育研究生和高级研究人员。在实验室实验前后通过调查获得的学生反馈为计划实施这些实验的教师提供了额外的指导。
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引用次数: 0
Decoding Macromolecular Compactness by Light Scattering: From Measurement to Chemical Insight in the Teaching Laboratory 光散射解码大分子致密性:从测量到教学实验室的化学洞察
IF 3 3区 教育学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-10-13 Epub Date: 2026-09-04 DOI: 10.1021/acs.jchemed.6c00306
Shaoen Qiu, Moyuan Li, Jiachao Liu, Zhenzhong Yang, Daoyong Chen, Xiayun Huang, Zhihong Nie

A critical pedagogical challenge in polymer science isbridgingthe gap between theoretical concepts and their experimental validation.Herein, we present an integrated laboratory course designed to addressthis challenge by immersing students in a complete model construction-validationcycle. This course centers on experimentally determining the ρ-value(ρ = Rh/Rg), one of the key quantitative descriptors of macromolecular compactness,using light scattering techniques. Using a series of architecturallydefined samples, including linear chain and single-chain nanoparticles(SCNPs) with varying cross-linking densities, students performed staticand dynamic light scattering (SLS/DLS) to measure their radius ofgyration (Rg) and hydrodynamic radius(Rh). Through guided data analysis, includingconstructing Zimm plots, fitting correlation functions, and evaluatingthe appropriateness of analytical models, students actively engagedin the iterative process of scientific inquiry─operating instruments,processing raw data, and comparing results to theoretical predictions.This approach transforms the laboratory from a routine characterizationexercise into a coherent investigative experience that connects measurement,model-based analysis, and chemical insights of the structure–propertyrelationship.

在聚合物科学中,一个关键的教学挑战是弥合理论概念和实验验证之间的差距。在此,我们提出了一个综合的实验课程,旨在通过让学生沉浸在一个完整的模型构建-验证周期中来解决这一挑战。本课程的重点是利用光散射技术,实验测定大分子紧致度的关键定量描述符之一ρ值(ρ = Rh/Rg)。使用一系列结构定义的样品,包括具有不同交联密度的线性链和单链纳米颗粒(SCNPs),学生进行静态和动态光散射(SLS/DLS)来测量它们的旋转半径(Rg)和流体动力半径(Rh)。通过指导数据分析,包括构建齐姆图、拟合相关函数和评估分析模型的适用性,学生们积极参与科学探究的迭代过程──操作仪器、处理原始数据,并将结果与理论预测进行比较。这种方法将实验室从常规的表征练习转变为连贯的调查经验,将测量、基于模型的分析和结构-属性关系的化学见解联系起来。
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引用次数: 0
From the First-Year Chemistry Laboratory to the International Chemistry Olympiad: A Virtual Experiment Developed from “Chemistry Comes Alive!” Published by JCE 从一年级化学实验室到国际化学奥林匹克:“化学活起来!”JCE出版
IF 3 3区 教育学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-10-13 Epub Date: 2026-09-21 DOI: 10.1021/acs.jchemed.6c00761
Wan Li, Qiang Zhou, John W. Moore, Chad C. Wilkinson, Pingping Zhu

This paper describes the development of a virtual experimentfromthe video collection “Chemistry Comes Alive!” publishedby the Journal of Chemical Education. The originalvideo materials were updated for enhanced accuracy and comprehensiveness.An online quiz with automated grading function was integrated, forminga complete experiment “Properties and Identification of HeavyMetal Ions”. The experiment can assist students in learningdescriptive chemistry and related chemical theories, while simultaneouslytraining their skills in observation, data collection, logical reasoning,and qualitative analysis. The experiment has been used in first-yearchemistry curricula across multiple universities in China as wellas in several national science outreach events. In particular, a problemderived from the experiment served as the first virtual practicalproblem in the history of the International Chemistry Olympiad (IChO2022).

这篇论文描述了一个虚拟实验的开发,该实验来自《化学教育杂志》上发表的视频集“化学变得鲜活!”为了提高准确性和全面性,对原始视频材料进行了更新。集成了具有自动评分功能的在线测验,形成了完整的“重金属离子的性质与鉴定”实验。实验可以帮助学生学习描述化学和相关的化学理论,同时训练他们的观察、数据收集、逻辑推理和定性分析的技能。该实验已在中国多所大学的一年级化学课程中使用,并在几个国家科学推广活动中使用。特别是,从实验中得出的一个问题成为国际化学奥林匹克竞赛(IChO2022)历史上第一个虚拟实际问题。
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引用次数: 0
From GROMACS Molecular Dynamics Simulations to Electronic Absorption Spectra: A Tutorial for Small Molecules in Organic Solvents 从GROMACS分子动力学模拟到电子吸收光谱:有机溶剂中的小分子教程
IF 3 3区 教育学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-10-13 Epub Date: 2026-09-01 DOI: 10.1021/acs.jchemed.6c00154
Chiara Picarelli, Giuseppina Raffaini, Matteo Tommasini

Classical molecular dynamics is a theoretical methoduseful forinvestigating noncovalent intermolecular interactions and conformationalflexibility, enabling the simulation of processes such as aggregation/dissolutionand adsorption. Molecular dynamics and quantum chemistry are increasinglyintroduced in chemistry curricula, yet students may encounter difficultieswhen translating theoretical concepts into robust simulation protocols,particularly outside biomolecular systems. Here, we present a tutorialdesigned to guide students through the preparation, execution, andanalysis of the simulations of small organic molecules in nonaqueoussolvents, followed by the calculation of ultraviolet–visible(UV–vis) absorption spectra using time-dependent density functionaltheory. This tutorial focuses on several practical issues: obtainingforce-field parameters, building simulation cells, selecting ensembles,and interpreting critical simulation parameters. Custom solvent modelsare validated against reference density and radial distribution functions,demonstrating how selected observables can be used to assess simulationreliability. We illustrate the usefulness of molecular dynamics byshowing that molecular flexibility and solvent interactions broadenthe UV–vis absorption band of indigo in chloroform. This contributionis intended as a hands-on educational resource for upper-level undergraduateand graduate students enrolled in physical chemistry and computationalchemistry courses, as well as for Ph.D. students working in chemistry,physics, or material science, who are approaching molecular simulations.To support dissemination, we have released a ready-to-use packageon GitHub that includes solvent boxes and all the necessary filesand data for incorporating new molecules into GROMACS simulations: https://github.com/cippee/SolventSafari-for-GROMACS.

经典分子动力学是一种用于研究非共价分子间相互作用和构象灵活性的理论方法,可以模拟聚集/溶解和吸附等过程。分子动力学和量子化学越来越多地被引入化学课程,然而学生在将理论概念转化为强大的模拟协议时可能会遇到困难,特别是在生物分子系统之外。在这里,我们提供了一个教程,旨在指导学生通过制备,执行和分析小有机分子在非水溶剂中的模拟,然后使用时间相关密度泛函理论计算紫外-可见(UV-vis)吸收光谱。本教程侧重于几个实际问题:获得力场参数,构建模拟单元,选择集成,并解释关键的模拟参数。根据参考密度和径向分布函数验证了自定义溶剂模型,演示了如何使用选定的可观测值来评估模拟可靠性。我们通过表明分子柔韧性和溶剂相互作用拓宽了靛蓝在氯仿中的紫外-可见吸收带来说明分子动力学的有用性。这一贡献的目的是作为一个动手教育资源,为高年级本科生和研究生就读于物理化学和计算化学课程,以及博士学生在化学,物理,或材料科学,谁正在接近分子模拟工作。为了支持传播,我们在GitHub上发布了一个现成的软件包,其中包括溶剂盒和将新分子纳入GROMACS模拟所需的所有必要文件和数据:https://github.com/cippee/SolventSafari-for-GROMACS。
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引用次数: 0
Rethinking Organic Chemistry: Enhancing Pedagogies to Explain the Relative Reactivity of Aldehydes and Ketones 重新思考有机化学:强化解释醛酮相对反应性的教学方法
IF 3 3区 教育学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-10-13 Epub Date: 2026-09-02 DOI: 10.1021/acs.jchemed.6c00721
Mark C. Elliott, Edwin C. Johnson, Kasimir P. Gregory

In this work, we explore the structureand charge distributionwithin carbonyl compounds. It is routine in textbook explanationsto attribute the relative reactivity of aldehydes and ketones to electron-donatingeffects of alkyl groups. The results of our computational study indicatethat the changes in charge distribution contradict the common textbookexplanations. Neither the inductive effect nor the hyperconjugationeffect of a methyl group lower the partial positive charge on a carbonylcarbon atom, and the incorporation of halogens adjacent to the carbonyldoes not increase the partial positive charge. We must attribute thestabilization exclusively to differing hyperconjugation effects, andwe use NBO analysis of hyperconjugation interactions to quantify therelative stabilization of carbonyl compounds by representative groups.As a result, there is an opportunity to develop a more coherent frameworkfor teaching carbonyl chemistry, which intersects with alkene reactivityand carbocation stabilization.

在这项工作中,我们探讨了羰基化合物的结构和电荷分布。在教科书的解释中,将醛和酮的相对反应性归因于烷基的给电子作用是常规的。我们的计算研究结果表明,电荷分布的变化与一般教科书的解释相矛盾。甲基的诱导效应和超共轭效应都不会降低羰基碳原子上的部分正电荷,而与羰基相邻的卤素的结合也不会增加部分正电荷。我们必须将稳定性归因于不同的超偶联效应,我们使用NBO分析超偶联相互作用来量化代表性基团对羰基化合物的相对稳定性。因此,有机会为羰基化学的教学建立一个更连贯的框架,这与烯烃的反应性和碳正离子的稳定性相交叉。
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引用次数: 0
Structural, Polymorph and Property Investigations of Realgar for Undergraduate Education 本科教学用雄黄的结构、多态及性质研究
IF 3 3区 教育学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-10-13 Epub Date: 2026-09-22 DOI: 10.1021/acs.jchemed.6c00478
Xing Liu, Qian-hong Gan, Li-juan Huang, Qing Xiang, Hui-min Zhou, Shu-mei Cao, Jian Zhou

Anintegrated research-style experiment on the preparation, characterization,and photoelectric properties of realgar (As4S4) is developed to enhance the interest, hands-on skills and innovativeability of undergraduates. Initially, students prepared red crystalsof α-As4S4 by the solvothermal methodand characterized via modern spectroscopic techniques including X-raydiffraction, X-ray photoelectron spectroscopy (XPS), UV–visabsorption and Raman spectroscopy. Then, they tested photoelectricproperties of α-As4S4, revealing thatit shows remarkable photocurrent response under visible-light illumination.Finally, students made DFT calculations to further illustrate thephotoexcitation mechanism. Such experiment is beneficial to (a) deepenstudents’ comprehension of low oxidation state As(II), As–Asbonds, As···S weak interactions, polymorph and clusterstructure of α-As4S4, (b) improve theirhands-on skills, scientific thinking and innovative ability, and (c)stimulate students to explore the new photoelectric materials viaproperty study.

为了提高大学生对雄黄(As4S4)的兴趣、动手能力和创新能力,设计了一个关于雄黄(As4S4)的制备、表征和光电性质的综合研究型实验。首先,学生们用溶剂热法制备了α-As4S4红色晶体,并通过x射线衍射、x射线光电子能谱(XPS)、紫外可见吸收和拉曼光谱等现代光谱技术对其进行了表征。然后,他们测试了α-As4S4的光电性能,发现它在可见光照射下表现出显著的光电流响应。最后,学生们进行了DFT计算,进一步说明了光激发机制。这样的实验有利于(a)加深学生对α-As4S4低氧化态As(II)、As - asbonds、As··S弱相互作用、α-As4S4的多晶和簇状结构的理解,(b)提高学生的动手能力、科学思维和创新能力,(c)激发学生通过性质研究探索新型光电材料。
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