MRI: Acquisition of a Single Crystal X-ray Diffractometer

MRI：获取单晶 X 射线衍射仪

• 批准号: 2018753
• 负责人: Frieder Jaekle
• 金额: $ 27.37万
• 依托单位: Rutgers University Newark
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2020
• 资助国家: 美国
• 起止时间: 2020-08-15 至 2023-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2018753&HistoricalAwards=false
• 关键词: MRI; Acquisition; Single; Crystal; ray

This award is supported by the Major Research Instrumentation and the Chemistry Research Instrumentation programs. Rutgers University Newark is acquiring a single crystal X-ray diffractometer to support Professor Frieder Jaekle and colleagues: Roger Lalancette, Michal Szostak, Demyan Prokopchuk and Trevor Tyson from the New Jersey Institute of Technology. In general, an X-ray diffractometer allows accurate and precise measurements of the full three-dimensional structure of a molecule, including bond distances and angles. The instrument acquisition provides accurate information about the spatial arrangement of a molecule relative to neighboring molecules. In addition, the diffractometer has broad impact on teaching and training, outreach activities, and graduate and undergraduate research at Rutgers University Newark and regional partners such as the New Jersey Institute of Technology.The award of the X-ray diffractometer is aimed at enhancing research and education at all levels. The instrument acquisition impacts the characterization of synthetic inorganic and organic materials to develop new catalysts to advance manufacturing for optoelectronic applications. The instrumentation is also used for studying catalysts made from main group Lewis pairs and amide cross-coupling by nitrogen-carbon bond activation. In addition, the research team benefits from the instrument by being able to explore transition-metal catalyzed reactions of carboxylic acids and multiferroic complex oxides. The diffractometer is also used to characterize products relevant to molecular catalysis for sustainable energy conversion and compounds for chromophore-semiconductor interfaces.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.

该奖项由主要研究仪器项目和化学研究仪器项目支持。纽瓦克罗格斯大学正在购买一台单晶X射线衍射仪，以支持新泽西理工学院的Frieder Jaekle教授和他的同事：Roger Lalancette、Michal Szostak、Demyan Prokopchuk和Trevor Tyson。一般来说，X射线衍射仪可以准确和精确地测量分子的全部三维结构，包括键距离和角度。仪器采集提供了关于分子相对于邻近分子的空间排列的准确信息。此外，衍射仪对纽瓦克罗格斯大学和新泽西理工学院等地区合作伙伴的教学和培训、外展活动以及研究生和本科生研究都有广泛的影响。仪器的获取影响到合成无机和有机材料的表征，以开发新的催化剂，促进光电子应用的制造。该装置还被用于研究主族Lewis对和酰胺通过氮-碳键活化而形成的交叉偶联催化剂。此外，研究小组还受益于该仪器，能够探索过渡金属催化的羧酸和多铁复合氧化物的反应。衍射仪还用于表征与用于可持续能源转换的分子催化相关的产品和用于生色团-半导体界面的化合物。该奖项反映了NSF的法定使命，并通过使用基金会的智力优势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

A redox-active Mn(0) dicarbene metalloradical

具有氧化还原活性的 Mn(0) 二碳烯金属自由基

• DOI: 10.1039/d2cc04677f
• 发表时间: 2022
• 期刊: Chemical Communications
• 影响因子: 4.9
• 作者: Karagiannis, Ageliki;Tyryshkin, Alexei M.;Lalancette, Roger A.;Spasyuk, Denis M.;Washington, Asmaa;Prokopchuk, Demyan E.
• 通讯作者: Prokopchuk, Demyan E.

The versatility of 1,4,8,11-tetraazacyclotetradecane (cyclam) in the formation of compounds of Co 2+ , Ni 2+ , Cu 2+ , and Zn 2+ with metal ions in and out of the cyclic ligand ring

1,4,8,11-四氮杂环十四烷（cyclam）在与环状配体环内外的金属离子形成Co 2 、Ni 2 、Cu 2 和Zn 2 化合物中的多功能性

• DOI: 10.1515/zkri-2023-0026
• 发表时间: 2023
• 期刊: Zeitschrift für Kristallographie - Crystalline Materials
• 作者: Noor, Mah;Chah, Hamza;Tresp, David;Bernal, Ivan;Lalancette, Roger A.
• 通讯作者: Lalancette, Roger A.

Essential Roles of Cp Ring Activation and Coordinated Solvent During Electrocatalytic H 2 Production with Fe(CpN3) Complexes

Fe(CpN3)配合物电催化制H 2 过程中Cp环活化和配位溶剂的重要作用

• DOI: 10.1021/acscatal.3c02911
• 发表时间: 2023
• 期刊: ACS Catalysis
• 影响因子: 12.9
• 作者: Goel, Bhumika;Neugebauer, Hagen;VanderWeide, Andrew I.;Sánchez, Práxedes;Lalancette, Roger A.;Grimme, Stefan;Hansen, Andreas;Prokopchuk, Demyan E.
• 通讯作者: Prokopchuk, Demyan E.

Coordination-Induced Weakening of a C(sp3)–H Bond: Homolytic and Heterolytic Bond Strength of a CH–Ni Agostic Interaction

配位诱导的 C(sp3)–H 键弱化：CH–Ni 不自由相互作用的均解和杂解键强度

• DOI: 10.1021/jacs.2c05667
• 发表时间: 2022
• 期刊: Journal of the American Chemical Society
• 影响因子: 15
• 作者: Lin, Lirong;Spasyuk, Denis M.;Lalancette, Roger A.;Prokopchuk, Demyan E.
• 通讯作者: Prokopchuk, Demyan E.

Electrophilic and nucleophilic displacement reactions at the bridgehead borons of tris(pyridyl)borate scorpionate complexes

三(吡啶基)硼酸酯蝎形配合物桥头硼的亲电和亲核置换反应

• DOI: 10.1039/d1cc06181j
• 发表时间: 2022
• 期刊: Chemical Communications
• 影响因子: 4.9
• 作者: Goura, Joydeb;McQuade, James;Shimoyama, Daisuke;Lalancette, Roger A.;Sheridan, John B.;Jäkle, Frieder
• 通讯作者: Jäkle, Frieder