RUI: Condensed-Phase Effects on the Structural and Energetic Properties of Nitrogen Donor - SOx Complexes
RUI:凝聚相对氮供体 - SOx 复合物结构和能量特性的影响
基本信息
- 批准号:2154736
- 负责人:
- 金额:$ 31.33万
- 依托单位:
- 依托单位国家:美国
- 项目类别:Standard Grant
- 财政年份:2022
- 资助国家:美国
- 起止时间:2022-09-01 至 2025-08-31
- 项目状态:未结题
- 来源:
- 关键词:
项目摘要
In this project funded by the Chemical Structure, Dynamics and Mechanisms-A program of the Chemistry Division, Professor James Phillips and his undergraduate researchers at the University of Wisconsin-Eau Claire will study how the structures of certain stable molecules change as a result of their associations with each other. Molecular structure is typically unaffected by chemical environment; distances between atoms typically do not change when a substance condenses or goes into solution. However, certain “molecular complexes” - associations of two or more otherwise stable molecules - can undergo major changes of this ilk, but the overall generality of such effects is not well-established. This project will characterize a series of complexes apt to change structure in inert, non-interacting “solvent” environments known as “cryogenic matrices” (solid samples of argon, neon, or nitrogen, frozen at temperatures near absolute zero). The complexes will be studied by probing their resonant frequencies (how fast or easily their chemical bonds vibrate), which shift systematically when structural changes occur. In addition, the systems will be explored by computer simulations of the bonding to address the underlying factors that drive the unusual structural changes. The knowledge gained from these studies will contribute to a fundamental understanding of the nature of chemical bonding, which in turn can help other researchers to better understand and predict chemical reactivity in the research lab, industrial settings, and the environment. The project will take place at an accessible, public comprehensive university (UW-Eau Claire), and will provide transformative research, mentoring, and career development experiences for undergraduate students. This combined quantum-chemical and experimental (matrix-IR and UV spectroscopic) investigation will target three types of systems: i) H3N–SO2 and its methylated analogs, ii) Pyridine - SO2, and its fluoropyridine analogs, and, iii) the analogous SO3 complexes. The central hypothesis is that bonds about the central S-atom in SOx will manifest repulsive forces that impede further coordination, and lead to extreme structural changes in inert media. Confirmation of this will manifest a refined understanding of factors affecting coordinate bond strength, which may impact many areas of chemistry.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.
在这个由化学系的化学结构、动力学和机制项目资助的项目中,威斯康星大学欧克莱尔分校的詹姆斯菲利普斯教授和他的本科研究人员将研究某些稳定分子的结构如何由于它们相互关联而发生变化。 分子结构通常不受化学环境的影响;当物质冷凝或进入溶液时,原子之间的距离通常不会改变。然而,某些“分子复合物”--两个或多个稳定分子的结合--可能会发生类似的重大变化,但这种效应的总体普遍性还没有得到很好的确立。该项目将描述一系列易于在惰性、非相互作用的“溶剂”环境中改变结构的复合物,称为“低温基质”(氩、氖或氮的固体样品,在接近绝对零度的温度下冷冻)。这些复合物将通过探测它们的共振频率(它们的化学键振动的速度或容易程度)来研究,当结构发生变化时,这些频率会系统地发生变化。此外,将通过计算机模拟键合来探索这些系统,以解决驱动不寻常结构变化的潜在因素。从这些研究中获得的知识将有助于对化学键合性质的基本理解,这反过来又可以帮助其他研究人员更好地理解和预测研究实验室,工业环境和环境中的化学反应性。 该项目将在一所可访问的公立综合大学(UW-Eau Claire)进行,并将为本科生提供变革性的研究,指导和职业发展经验。这种结合量子化学和实验(矩阵-IR和UV光谱)研究将针对三种类型的系统:i)H3 N-SO2及其甲基化类似物,ii)吡啶- SO2及其氟吡啶类似物,以及iii)类似的SO 3络合物。核心假设是SOx中中心S原子周围的键将表现出阻碍进一步配位的排斥力,并导致惰性介质中的极端结构变化。这一点的确认将表明对影响配位键强度的因素的精确理解,这可能会影响化学的许多领域。该奖项反映了NSF的法定使命,并被认为值得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来支持。
项目成果
期刊论文数量(0)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
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James Phillips其他文献
Competition Intensity and Fatigue in Elite Fencing
精英击剑比赛的强度和疲劳
- DOI:
- 发表时间:
2017 - 期刊:
- 影响因子:3.2
- 作者:
A. Turner;L. Kilduff;Geoff Marshall;James Phillips;Angelo Noto;Conor Buttigieg;Marcela B. Gondek;F. Hills;L. Dimitriou - 通讯作者:
L. Dimitriou
Novel inhibitors of AChE and Aemβ/em aggregation with neuroprotective properties as lead compounds for the treatment of Alzheimer's disease
- DOI:
10.1016/j.ejmech.2022.114305 - 发表时间:
2022-05-05 - 期刊:
- 影响因子:5.900
- 作者:
Yulin Liu;Giuseppe Uras;Itse Onuwaje;Wenlong Li;Hong Yao;Shengtao Xu;Xinuo Li;Xinnan Li;James Phillips;Stephanie Allen;Qi Gong;Haiyan Zhang;Zheying Zhu;Jie Liu;Jinyi Xu - 通讯作者:
Jinyi Xu
▼Levonelle-2 for emergency contraception
▼紧急避孕用Levonelle-2
- DOI:
- 发表时间:
2000 - 期刊:
- 影响因子:0
- 作者:
James Phillips - 通讯作者:
James Phillips
Categorization of pediatric neoplasms by immunostaining with antiprekeratin and antivimentin antisera
通过抗前角蛋白和抗波形蛋白抗血清免疫染色对儿科肿瘤进行分类
- DOI:
- 发表时间:
1983 - 期刊:
- 影响因子:6.2
- 作者:
H. Kahn;H. Yeger;R. Baumal;Heather Thom;James Phillips - 通讯作者:
James Phillips
Poetry and Power in Ovid's Tristia and Chaucer's Legend of Good Women
奥维德《特里斯蒂亚》和乔叟《好女人传奇》中的诗歌与力量
- DOI:
10.1353/elh.2020.0031 - 发表时间:
2020 - 期刊:
- 影响因子:0.5
- 作者:
Aparna Chaudhuri;Thomas Ward;Ali Madani;Diana C Wise;James Phillips;M. Farrell;Rachel Gevlin;J. Bloomfield;R. Lehman;Henry Ivry - 通讯作者:
Henry Ivry
James Phillips的其他文献
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{{ truncateString('James Phillips', 18)}}的其他基金
RUI: Studies of Condensed-Phase Effects on the Structural Properties of Molecular Complexes
RUI:凝聚相对分子配合物结构性质影响的研究
- 批准号:
1566035 - 财政年份:2016
- 资助金额:
$ 31.33万 - 项目类别:
Continuing Grant
RUI: Continued Studies of Condensed-Phase Structural Effects in Complexes of BCl3 and Group IV Lewis Acids
RUI:BCl3 和 IV 族路易斯酸络合物中凝聚相结构效应的持续研究
- 批准号:
1152820 - 财政年份:2012
- 资助金额:
$ 31.33万 - 项目类别:
Continuing Grant
RUI: Continued Studies of Condensed-Phase Effects on the Structural Properties of Nitrile Donor-Acceptor Complexes
RUI:凝聚相对腈供体-受体复合物结构性质影响的持续研究
- 批准号:
0718164 - 财政年份:2007
- 资助金额:
$ 31.33万 - 项目类别:
Standard Grant
RUI: Condensed Phase Effects on Structure and Bonding in Nitrile Donor-Acceptor Complexes
RUI:凝聚相对腈供体-受体复合物结构和键合的影响
- 批准号:
0407824 - 财政年份:2004
- 资助金额:
$ 31.33万 - 项目类别:
Standard Grant
RUI: Acquisition of an FTIR Spectrometer and Sampling Accessories for Faculty-Student Collaborative Research in Chemistry
RUI:购买 FTIR 光谱仪和采样配件,用于化学师生合作研究
- 批准号:
0216058 - 财政年份:2002
- 资助金额:
$ 31.33万 - 项目类别:
Standard Grant
The Ahmarian Tradition of the Upper Paleolithic in Northeastern Sinai
西奈半岛东北部旧石器时代晚期的艾哈迈里传统
- 批准号:
9311368 - 财政年份:1993
- 资助金额:
$ 31.33万 - 项目类别:
Standard Grant
Prehistoric Subsistence Strategies in the Sinai Desert
西奈沙漠的史前生存策略
- 批准号:
8720253 - 财政年份:1988
- 资助金额:
$ 31.33万 - 项目类别:
Continuing Grant
Subsistence Strategies of the Upper Paleolithic in the Wadi Feiran, Southern Sinai
西奈半岛南部费兰干河旧石器时代晚期的生存策略
- 批准号:
8409021 - 财政年份:1984
- 资助金额:
$ 31.33万 - 项目类别:
Continuing Grant
Prehistory of Wadi Feiran and Its Tributaries, Southern Sinai
西奈半岛南部费兰干河及其支流的史前史
- 批准号:
8206335 - 财政年份:1982
- 资助金额:
$ 31.33万 - 项目类别:
Standard Grant
Design of Social, Economic and Legal Data-Gathering RelativeTo a Solar-Heated House
与太阳能加热房屋相关的社会、经济和法律数据收集的设计
- 批准号:
7424564 - 财政年份:1974
- 资助金额:
$ 31.33万 - 项目类别:
Standard Grant
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Effect of Condensed-Phase Photochemistry on Absorption Coefficients and Phase State of Atmospheric Organic Aerosol Particles
凝聚相光化学对大气有机气溶胶颗粒吸收系数和相态的影响
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- 批准号:
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