Competition between hydrogen bonding and dispersion forces in ionic and molecular liquids by means of spectroscopic and thermodynamic methods
利用光谱和热力学方法研究离子液体和分子液体中氢键和色散力的竞争
基本信息
- 批准号:269854963
- 负责人:
- 金额:--
- 依托单位:
- 依托单位国家:德国
- 项目类别:Priority Programmes
- 财政年份:2015
- 资助国家:德国
- 起止时间:2014-12-31 至 2021-12-31
- 项目状态:已结题
- 来源:
- 关键词:
项目摘要
The competition between hydrogen bonding and dispersion forces in ionic and molecular liquids will be studied by means of infrared, terahertz, several thermodynamic methods and quantum chemical calculations including dispersion correction. The important role of dispersion forces on the formation of ionic and molecular clusters will be investigated for all phases: the solid, the liquid and the gas phase. The structure of the clusters present in each phase will be determined by X-ray and spectroscopic methods whereas changes during phase transition will be probed by thermodynamic methods. For that purpose, a well selected set of ionic and molecular liquids will be synthesized that allows to control of noncovalent interactions. The special feature of the molecular liquids is that the molecules are mimics of the cations used in the ionic liquids. This way we can study the different role of dispersion forces while changing from ionic to molecular liquids and switching off the strong Coulomb interaction. Moreover, the compounds are designed such that we can increase the dispersion forces in a controlled way while weakening hydrogen bonding at the same time. The combined spectroscopic methods (MIR, FIR, THz), thermodynamic methods (calorimetry, thermogravimetry, vapour pressure measurements) and theoretical approaches (DFT and Gn) allow to study the subtle balance between Coulomb interaction, hydrogen bonding and dispersion forces in these model compounds. In particular the role of dispersion forces can be analyzed in the liquid phase, wherein most practical chemistry occurs.
将通过红外,Terahertz,几种热力学方法和包括分散校正的红外线,几种热力学方法和量子化学计算来研究氢键与分子液体中氢键之间的竞争。分散力对所有阶段的离子和分子簇形成的重要作用:固体,液体和气相。每个阶段中存在的簇的结构将由X射线和光谱方法确定,而相变的变化将通过热力学方法探测。为此,将合成一组精选的离子和分子液体,以控制非共价相互作用。分子液体的特征是分子是离子液体中使用的阳离子的模仿。这样,我们可以研究分散力的不同作用,同时从离子变为分子液体并关闭强库仑相互作用。此外,这些化合物的设计使我们可以以受控的方式增加分散力,同时同时削弱氢键。光谱法(miR,FIR,THZ),热力学方法(量热法,热重法,蒸气压力测量)和理论方法(DFT和GN)可以研究库仑相互作用,氢气相互作用,氢键和分散力之间的细微平衡。特别是,可以在液相分析分散力的作用,其中最实际的化学发生。
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)
数据更新时间:{{ journalArticles.updateTime }}
{{
item.title }}
{{ item.translation_title }}
- DOI:
{{ item.doi }} - 发表时间:
{{ item.publish_year }} - 期刊:
- 影响因子:{{ item.factor }}
- 作者:
{{ item.authors }} - 通讯作者:
{{ item.author }}
数据更新时间:{{ journalArticles.updateTime }}
{{ item.title }}
- 作者:
{{ item.author }}
数据更新时间:{{ monograph.updateTime }}
{{ item.title }}
- 作者:
{{ item.author }}
数据更新时间:{{ sciAawards.updateTime }}
{{ item.title }}
- 作者:
{{ item.author }}
数据更新时间:{{ conferencePapers.updateTime }}
{{ item.title }}
- 作者:
{{ item.author }}
数据更新时间:{{ patent.updateTime }}
Professor Dr. Ralf Ludwig其他文献
Professor Dr. Ralf Ludwig的其他文献
{{
item.title }}
{{ item.translation_title }}
- DOI:
{{ item.doi }} - 发表时间:
{{ item.publish_year }} - 期刊:
- 影响因子:{{ item.factor }}
- 作者:
{{ item.authors }} - 通讯作者:
{{ item.author }}
{{ truncateString('Professor Dr. Ralf Ludwig', 18)}}的其他基金
Deuteron quadrupole coupling constants and rotational correlation times of N-D and O-D bonds involved in doubly ionic hydrogen bonds in ionic liquids and their mixtures by means of NMR liquid and solid state experiments
通过NMR液态和固态实验研究离子液体及其混合物中双离子氢键涉及的N-D和O-D键的氘核四极耦合常数和旋转相关时间
- 批准号:
401427621 - 财政年份:2018
- 资助金额:
-- - 项目类别:
Research Grants
Like-charge attraction in Ionic Liquids: The influence of pressure, polarity and molecular mimics
离子液体中的同电荷吸引力:压力、极性和分子模拟的影响
- 批准号:
286149019 - 财政年份:2016
- 资助金额:
-- - 项目类别:
Research Grants
Intermolecular interactions in ionic liquids studied by THz, far IR and Raman spectroscopy
通过太赫兹、远红外和拉曼光谱研究离子液体中的分子间相互作用
- 批准号:
92218760 - 财政年份:2008
- 资助金额:
-- - 项目类别:
Priority Programmes
Isotopeneffekte in H-Brückengebundenen Flüssigkeiten
氢键液体中的同位素效应
- 批准号:
12468740 - 财政年份:2005
- 资助金额:
-- - 项目类别:
Research Grants
Theoretical and experimental investigations for understanding the Hofmeister series on the molecular level
在分子水平上理解霍夫迈斯特级数的理论和实验研究
- 批准号:
5327522 - 财政年份:2001
- 资助金额:
-- - 项目类别:
Research Units
Thermodynamics, structure and dynamics of branched and unbranched alcohols
支链和非支链醇的热力学、结构和动力学
- 批准号:
5246315 - 财政年份:2000
- 资助金额:
-- - 项目类别:
Research Grants
The role of isotope effects: From ionic to molecular liquids
同位素效应的作用:从离子液体到分子液体
- 批准号:
517661181 - 财政年份:
- 资助金额:
-- - 项目类别:
Research Grants
Character and influence of hydrogen bonding on the microstructures of ionic liquids by means of neutron diffraction and molecular dynamics simulations
通过中子衍射和分子动力学模拟研究氢键特征及其对离子液体微观结构的影响
- 批准号:
450088079 - 财政年份:
- 资助金额:
-- - 项目类别:
Research Grants
Detecting and quantifying doubly hydrogen bonded anionic dimers in ionic liquids
检测和定量离子液体中的双氢键阴离子二聚体
- 批准号:
470038970 - 财政年份:
- 资助金额:
-- - 项目类别:
Research Grants
相似国自然基金
数智背景下的团队人力资本层级结构类型、团队协作过程与团队效能结果之间关系的研究
- 批准号:72372084
- 批准年份:2023
- 资助金额:40 万元
- 项目类别:面上项目
蝙蝠高耗能行为之间的能量代谢与分配机制研究
- 批准号:32301287
- 批准年份:2023
- 资助金额:30 万元
- 项目类别:青年科学基金项目
内环和腔环之间的相互作用对核孔复合物伸缩变化的调控机制
- 批准号:32301015
- 批准年份:2023
- 资助金额:10 万元
- 项目类别:青年科学基金项目
热液流体出溶过程中熔体和流体之间Li同位素平衡分馏行为的实验研究
- 批准号:42302050
- 批准年份:2023
- 资助金额:30 万元
- 项目类别:青年科学基金项目
菌根栖息地之间的连接性如何影响生态系统的功能
- 批准号:32371721
- 批准年份:2023
- 资助金额:50 万元
- 项目类别:面上项目
相似海外基金
Novel Science for Innovative Hydrogen Production Based on Analogy between Boiling and Water Electrolysis
基于沸腾和水电解类比的创新制氢新科学
- 批准号:
23H00282 - 财政年份:2023
- 资助金额:
-- - 项目类别:
Grant-in-Aid for Scientific Research (A)
Elucidating origin of the trade-off relationship between tensile strength and resistance to hydrogen embrittlement in martensitic steels from a view point of local deformation behavior
从局部变形行为的角度阐明马氏体钢抗拉强度和抗氢脆性之间的权衡关系的起源
- 批准号:
23K13541 - 财政年份:2023
- 资助金额:
-- - 项目类别:
Grant-in-Aid for Early-Career Scientists
Synchrotron radiation study of novel hydrogen storage alloys utilizing various bonding nature between mangnese and hydrogen
利用锰与氢之间不同键合性质的新型储氢合金的同步辐射研究
- 批准号:
23KJ1856 - 财政年份:2023
- 资助金额:
-- - 项目类别:
Grant-in-Aid for JSPS Fellows
Structural and chemical changes between empty and full AAV capsids
空 AAV 衣壳和完整 AAV 衣壳之间的结构和化学变化
- 批准号:
10646613 - 财政年份:2023
- 资助金额:
-- - 项目类别:
Development of hydrogen safety codes and standards through a collaboration between UBC and the University of Groningen: Design of reacting flow facilities
通过 UBC 和格罗宁根大学之间的合作制定氢气安全规范和标准:反应流设施的设计
- 批准号:
576158-2022 - 财政年份:2022
- 资助金额:
-- - 项目类别:
Alliance Grants