Attaining Configuration and Ligand Field Control over the Singly Occupied Molecular Orbital (SOMO)/Fermi Gap in Molecular Langmuir-Blodgett (LB) Films

实现分子 Langmuir-Blodgett (LB) 薄膜中单占据分子轨道 (SOMO)/费米间隙的构型和配体场控制

• 批准号: 1904584
• 负责人: Claudio Verani
• 金额: $ 47.5万
• 依托单位: Wayne State University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2019
• 资助国家: 美国
• 起止时间: 2019-08-15 至 2023-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1904584&HistoricalAwards=false
• 关键词: Attaining; Configuration; Ligand; Field; Control

Surfactants are molecules that contain water-soluble and water-insoluble regions. When added to water, surfactants form well-organized films as thin as a single molecule, and this film can be transferred onto a solid surface. Surfactant molecules can be designed to incorporate metal centers to form a new and advanced class of metallosurfactants that can be tailored to respond to specific electrical stimuli. With funding from the Macromolecular, Supramolecular and Nanochemistry program of the NSF Division of Chemistry, Professor Claudio Verani and his research group at Wayne State University in Detroit are studying how to design and obtain new responsive metallosurfactants, and how to tune the properties of these metallosurfactants to respond to specific stimuli. The team also considers how to use these metallosurfactants to form responsive films on solid surfaces. This research is fundamental to concepts such as directional electron transport needed in quantum computing and stimuli-responsive materials. The outreach goals foster the dissemination of cutting edge scientific knowledge, graduate and undergraduate education and research, and the diffusion of scientific ideas to broader audiences. Professor Verani and collaborators are studying the synthesis, redox, electronic, and interfacial behavior of metallosurfactants, both in solution and as Langmuir-Blodgett monolayer films deposited onto electroactive surfaces. This interdisciplinary project aims to study the modulation of the Singly Occupied Molecular Orbital (SOMO)/Fermi gap on metallosurfactant films based on metal ions with distinct 3d0, 3d1, 3d2, 3d3, and 3d4 electronic configurations. The team also develops push/pull asymmetric metallosurfactants to study the relationship between orbital distortion and directional electron transport, and generates methodology to enable a new class of "on demand" ionic metallosurfactants obtained through the exchange of counterions by charged surfactants.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.

表面活性剂是包含水溶性和水不溶的区域的分子。当添加到水中时，表面活性剂形成较薄的薄膜，就像单个分子一样薄，并且该膜可以转移到固体表面上。表面活性剂分子可以设计为结合金属中心以形成一种新的和高级的金属表面活性剂，可以量身定制以应对特定的电刺激。 NSF化学部的大分子，超分子和纳米化学计划的资助，Claudio Verani教授及其在底特律韦恩州立大学的研究小组正在研究如何设计和获得新的响应式金属表皮鲜星，以及如何对这些金属素化激素对特定的刺激性响应的特性进行响应。 该团队还考虑如何使用这些金属表面活性剂在固体表面上形成响应式膜。这项研究是诸如量子计算中所需的定向电子传输和刺激响应材料所需的概念的基础。宣传目标促进了尖端科学知识，研究生和本科教育和研究的传播，以及科学思想扩散到更广泛的受众中。 Verani教授和合作者正在研究金属表层活性剂的合成，氧化还原，电子和界面行为，无论是在溶液还是作为沉积在电活性表面上的Langmuir-Blodgett单层膜。这个跨学科项目旨在研究基于具有不同3d0、3d1、3d2、3d3和3d4电子构型的金属离子的金属层面膜上单占分子轨道（SOMO）/费米间隙的调节。 该团队还开发推/拉不对称的金属表面活性剂，以研究轨道失真和方向电子传输之间的关系，并生成方法，并生成方法，以启用新的“按需”离子金属表面活性剂，通过通过充电的表面活性剂交换来对其进行交流而获得的抗衡药，这些奖项反映了NSF的合法传教士的范围。 标准。

项目成果

Electron transport through a (terpyridine)ruthenium metallo-surfactant containing a redox-active aminocatechol derivative

通过含有氧化还原活性氨基儿茶酚衍生物的（三联吡啶）钌金属表面活性剂进行电子传输

• DOI: 10.1039/d2dt00938b
• 发表时间: 2022
• 期刊: Dalton Transactions
• 影响因子: 4
• 作者: Amunugama, Samudra;Asempa, Eyram;Tripathi, Ramesh Chandra;Wanniarachchi, Dakshika;Baydoun, Habib;Hoffmann, Peter;Jakubikova, Elena;Verani, Cláudio N.
• 通讯作者: Verani, Cláudio N.

Influence of Electronic Configurations on the Modulation of Fermi/Orbital Junction Energies for Directional Electron Transport through 3d 1 , 3d 3 , and 3d 5 Metallosurfactants

电子构型对 3d 1 、3d 3 和 3d 5 金属表面活性剂定向电子传输的费米/轨道结能量调制的影响

• DOI: 10.1021/acs.jpcc.2c04840
• 发表时间: 2022
• 期刊: The Journal of Physical Chemistry C
• 作者: Weeraratne, A. D.;Rani, Neha;Amunugama, Samudra;Perera, S. Sameera;Kpogo, Kenneth K.;Mazumder, Shivnath;Verani, Cláudio N.
• 通讯作者: Verani, Cláudio N.

A Molecular Approach for Mitigation of Aluminum Pitting based on Films of Zinc(II) and Gallium(III) Metallosurfactants

基于锌 (II) 和镓 (III) 金属表面活性剂薄膜的减轻铝点蚀的分子方法

• DOI: 10.1002/chem.201903408
• 发表时间: 2019
• 期刊: Chemistry – A European Journal
• 作者: Weeraratne, A. D. K. Isuri;Hewa‐Rahinduwage, Chathuranga C.;Gonawala, Sunalee;Luo, Long;Verani, Cláudio N.
• 通讯作者: Verani, Cláudio N.