Crystals on the Move

移动中的水晶

• 批准号: 2102248
• 负责人: Anna Gudmundsdottir
• 金额: $ 53.5万
• 依托单位: University of Cincinnati Main Campus
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2021
• 资助国家: 美国
• 起止时间: 2021-05-01 至 2025-04-30
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2102248&HistoricalAwards=false
• 关键词: Crystals; Move

In this project, funded by the Chemical Structure, Dynamics & Mechanisms B Program of the Chemistry Division, Professor Anna D. Gudmundsdottir of the Department of Chemistry at the University of Cincinnati is analyzing how crystals respond to external stimuli such as light and mechanical force. These studies focus on producing motility or movement in crystalline materials using momentum generated by releasing a gas. The mechanism is analogous to the operation of a gasoline engine. The response of crystals to external stimuli can be quite dramatic, as such crystals that can propel themselves over distances much larger than their own size, twist, coil, crawl, bend, fracture, or even shatter. Because dynamic crystals respond rapidly to external stimuli such as light, heat, and mechanical force, they have potential for use in various smart materials applications, such as sensors and actuators in industrial processes and devices. The interdisciplinary nature of this research project provides broad educational training for students. Through this research, students will learn to solve demanding technical problems facing society. Emphasis will be placed on building an inclusive and diverse research team to work in the Gudmundsdottir laboratory, including high school and college undergraduate students from groups underrepresented in science. Students will also be presented with educational activities geared towards their professional training. The Gudmundsdottir research team will study the photodynamic and mechanical behavior of crystalline divinyl azide and ester azide derivatives. Upon light exposure, these substances dissociate to form molecular N2 gas and photoproducts. The physical properties of these crystals will be determined by acquiring their single crystal X-ray structures, indexing the crystals, and measuring their hardness. In addition, the solid-state photoreactivity of these compounds will be determined by performing laser flash photolysis of nanocrystals to characterize the transients formed within the crystals. Further studies will determine the solid-state kinetics of these transients and identify their photo-products. Collectively, these data will be analyzed with an eye toward elucidating the detailed solid-state reaction mechanisms and toward explaining how the crystal lattice controls both the molecular reactivity and the macromolecular photodynamic behavior of divinyl azide and ester azide derivatives. These studies of photo-mechanical response and molecular solid-state photo-reaction mechanisms will be supported by quantum mechanical modeling.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

本课题由化学系化学结构、动力学机制B项目资助，安娜D.辛辛那提大学化学系的Gudmundsdottir正在分析晶体如何对光和机械力等外部刺激做出反应。这些研究的重点是利用释放气体产生的动量在晶体材料中产生运动性或运动。 这一机制类似于汽油发动机的运转。晶体对外部刺激的反应可以是相当戏剧性的，因为这样的晶体可以在远大于其自身尺寸的距离上推动自身，扭曲，盘绕，爬行，弯曲，断裂，甚至粉碎。由于动态晶体对光、热和机械力等外部刺激反应迅速，因此它们有可能用于各种智能材料应用，如工业过程和设备中的传感器和致动器。该研究项目的跨学科性质为学生提供了广泛的教育培训。通过这项研究，学生将学习解决社会面临的技术问题。重点将放在建立一个包容性和多样化的研究团队在Gudmundsdottir实验室工作，包括高中和大学本科生从科学代表性不足的群体。学生还将参加面向其专业培训的教育活动。Gudmundsdottir研究小组将研究结晶二乙烯基叠氮化物和酯叠氮化物衍生物的光动力学和机械行为。 暴露于光后，这些物质解离形成分子N2气体和光产物。这些晶体的物理性质将通过获取其单晶X射线结构，索引晶体和测量其硬度来确定。此外，这些化合物的固态光反应性将通过进行纳米晶体的激光闪光光解来确定，以表征晶体内形成的瞬态。 进一步的研究将确定这些瞬态的固态动力学，并确定其光产物。总的来说，这些数据将进行分析，着眼于阐明详细的固态反应机制，并解释晶格如何控制分子的反应性和大分子的光动力学行为的二乙烯基叠氮化物和酯叠氮化物衍生物。这些光机械响应和分子固态光反应机制的研究将得到量子力学建模的支持。该奖项反映了NSF的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。

项目成果

Aromaticity of the triplet states of corannulene and coronene

晕烯和晕烯三重态的芳香性

• DOI: 10.1002/poc.4464
• 发表时间: 2022
• 期刊: Journal of Physical Organic Chemistry
• 影响因子: 1.8
• 作者: Govorov, Dmitrii;Pitawela, Niroodha R.;Gudmundsdottir, Anna D.
• 通讯作者: Gudmundsdottir, Anna D.

Excited-State Intramolecular Proton Transfer in Salicylidene-α-Hydroxy Carboxylate Derivatives: Direct Detection of the Triplet Excited State of the cis -Keto Tautomer

水杨基-α-羟基羧酸衍生物中的激发态分子内质子转移：直接检测顺式-酮互变异构体的三重激发态

• DOI: 10.1021/acs.jpca.3c00543
• 发表时间: 2023
• 期刊: The Journal of Physical Chemistry A
• 作者: Weragoda, Geethika K.;Abdelaziz, Nayera M.;Govorov, Dmitrii;Merugu, Rajkumar;Patton, Leanna J.;Grabo, Jennifer E.;Ranaweera, R. A.;Ratliff, Anna C.;Mendis, W. Dinindu;Ahmed, Noha
• 通讯作者: Ahmed, Noha

Light-Mediated Synthesis of 2-(4-Methoxyphenyl)-1-pyrroline via Intramolecular Reductive Cyclization of a Triplet Alkylnitrene

通过三重态烷基氮烯的分子内还原环化光介导合成 2-(4-甲氧基苯基)-1-吡咯啉

• DOI: 10.1021/acs.orglett.3c01476
• 发表时间: 2023
• 期刊: Organic Letters
• 影响因子: 5.2
• 作者: George, Sobiya;Govorov, Dmitrii;Gatlin, DeVonna M.;Merugu, Rajkumar;Wasson, Fiona J.;Shields, Dylan J.;Allen, Yasmine;Muthukrishnan, Sivaramakrishnan;Krause, Jeanette A.;Abe, Manabu
• 通讯作者: Abe, Manabu