Detailed optical spectroscopy of transition metal compounds: discovering and tuning electronic structures and optical properties
过渡金属化合物的详细光谱:发现和调整电子结构和光学性质
基本信息
- 批准号:122103-2012
- 负责人:
- 金额:$ 4.01万
- 依托单位:
- 依托单位国家:加拿大
- 项目类别:Discovery Grants Program - Individual
- 财政年份:2015
- 资助国家:加拿大
- 起止时间:2015-01-01 至 2016-12-31
- 项目状态:已结题
- 来源:
- 关键词:
项目摘要
The main research theme of this application is the discovery and detailed characterization of the electronic structure of transition metal compounds and materials built from molecular building blocks containing transition metal centers. This program will provide insight on many fundamental chemical properties and contribute to several areas of modern materials science, focusing on the development of materials with fine-tuned optical, electronic or magnetic properties. It provides a challenging, stimulating training environment for students at all levels, establishing fascinating links between chemical intuition and quantitative measurements.
We use techniques of coordination chemistry to prepare our target systems and apply a number of optical spectroscopic techniques to obtain insight on their electronic ground and excited states. Recent additions to our instrumentation include setups for variable-pressure measurements. Experimental spectroscopic results are analyzed with modern theoretical methods, such as the time dependent theory of electronic spectroscopy and electronic structure calculations, including simulated effects of variable pressure. Structural information obtained from the theoretical models is compared to experimental crystallographic results at variable temperature and pressure. The combined spectroscopic-theoretical-structural approach will allow us to understand and tune effects ranging from metal-ligand bonding to intermolecular interactions.
We anticipate significant new insight on the quantitative influence of the environment on embedded transition metal compounds through pressure tuning or temperature variation. This information is relevant to the design of sensors or luminescent materials. A key long-range goal of this program is the discovery and understanding of trends through continuous variation of conditions, as opposed to the traditional interpolation of trends from spectra for different compounds, where it is much harder to identify and separate the fundamental physical and chemical causes of the observed behavior.
该应用的主要研究主题是发现和详细表征过渡金属化合物和由含有过渡金属中心的分子构件构建的材料的电子结构。 该项目将提供对许多基本化学性质的见解,并为现代材料科学的多个领域做出贡献,重点是开发具有微调光学、电子或磁性性质的材料。它为各个级别的学生提供了一个具有挑战性、刺激性的培训环境,在化学直觉和定量测量之间建立了迷人的联系。
我们使用配位化学技术来制备我们的目标系统,并应用许多光学光谱技术来深入了解其电子基态和激发态。 我们的仪器最近添加了可变压力测量设置。 使用现代理论方法分析实验光谱结果,例如电子光谱的时间相关理论和电子结构计算,包括可变压力的模拟效应。将从理论模型获得的结构信息与不同温度和压力下的实验晶体学结果进行比较。光谱-理论-结构相结合的方法将使我们能够理解和调整从金属-配体键合到分子间相互作用的效应。
我们预计通过压力调节或温度变化来了解环境对嵌入过渡金属化合物的定量影响。该信息与传感器或发光材料的设计相关。该计划的一个关键的长期目标是通过条件的连续变化来发现和理解趋势,这与传统的从不同化合物的光谱中插值趋势相反,在传统的插值法中,识别和分离基本的物理和化学成分要困难得多。观察到的行为的原因。
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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Reber, Christian其他文献
Spectroscopy and Chemical Bonding in Transition Metal Complexes
- DOI:
10.1007/430_2015_195 - 发表时间:
2016-01-01 - 期刊:
- 影响因子:0
- 作者:
Hauser, Andreas;Reber, Christian - 通讯作者:
Reber, Christian
Tunable trimers: using temperature and pressure to control luminescent emission in gold(I) pyrazolate-based trimers.
- DOI:
10.1002/chem.201404058 - 发表时间:
2014-12-15 - 期刊:
- 影响因子:4.3
- 作者:
Woodall, Christopher H.;Fuertes, Sara;Beavers, Christine M.;Hatcher, Lauren E.;Parlett, Andrew;Shepherd, Helena J.;Christensen, Jeppe;Teat, Simon J.;Intissar, Mourad;Rodrigue-Witchel, Alexandre;Suffren, Yan;Reber, Christian;Hendon, Christopher H.;Tiana, Davide;Walsh, Aron;Raithby, Paul R. - 通讯作者:
Raithby, Paul R.
Implementation of an experimental isolated lung perfusion model on surgically resected human lobes
- DOI:
10.1038/s41598-019-48719-8 - 发表时间:
2019-08-21 - 期刊:
- 影响因子:4.6
- 作者:
Slama, Alexis;Reber, Christian;Aigner, Clemens - 通讯作者:
Aigner, Clemens
Synthesis and Structure of a Dinuclear Gold(II) Complex with Terminal Fluoride Ligands
- DOI:
10.1021/ic200394q - 发表时间:
2011-05-16 - 期刊:
- 影响因子:4.6
- 作者:
Melgarejo, Doris Y.;Chiarella, Gina M.;Reber, Christian - 通讯作者:
Reber, Christian
Absorption spectroscopy of octahedral nickel(II) complexes:: A case study of interactions between multiple electronic excited states
- DOI:
10.1016/j.ccr.2006.08.011 - 发表时间:
2007-02-01 - 期刊:
- 影响因子:20.6
- 作者:
Gonzalez, Emmanuel;Rodrigue-Witchel, Alexandre;Reber, Christian - 通讯作者:
Reber, Christian
Reber, Christian的其他文献
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{{ truncateString('Reber, Christian', 18)}}的其他基金
Spectroscopic properties of transition metal compounds: detailed experiments under variable conditions
过渡金属化合物的光谱性质:可变条件下的详细实验
- 批准号:
RGPIN-2017-05918 - 财政年份:2021
- 资助金额:
$ 4.01万 - 项目类别:
Discovery Grants Program - Individual
Spectroscopic properties of transition metal compounds: detailed experiments under variable conditions
过渡金属化合物的光谱性质:可变条件下的详细实验
- 批准号:
RGPIN-2017-05918 - 财政年份:2020
- 资助金额:
$ 4.01万 - 项目类别:
Discovery Grants Program - Individual
Spectroscopic properties of transition metal compounds: detailed experiments under variable conditions
过渡金属化合物的光谱性质:可变条件下的详细实验
- 批准号:
RGPIN-2017-05918 - 财政年份:2019
- 资助金额:
$ 4.01万 - 项目类别:
Discovery Grants Program - Individual
Spectroscopic properties of transition metal compounds: detailed experiments under variable conditions
过渡金属化合物的光谱性质:可变条件下的详细实验
- 批准号:
RGPIN-2017-05918 - 财政年份:2018
- 资助金额:
$ 4.01万 - 项目类别:
Discovery Grants Program - Individual
Spectroscopic properties of transition metal compounds: detailed experiments under variable conditions
过渡金属化合物的光谱性质:可变条件下的详细实验
- 批准号:
RGPIN-2017-05918 - 财政年份:2017
- 资助金额:
$ 4.01万 - 项目类别:
Discovery Grants Program - Individual
Detailed optical spectroscopy of transition metal compounds: discovering and tuning electronic structures and optical properties
过渡金属化合物的详细光谱:发现和调整电子结构和光学性质
- 批准号:
122103-2012 - 财政年份:2016
- 资助金额:
$ 4.01万 - 项目类别:
Discovery Grants Program - Individual
Detailed optical spectroscopy of transition metal compounds: discovering and tuning electronic structures and optical properties
过渡金属化合物的详细光谱:发现和调整电子结构和光学性质
- 批准号:
122103-2012 - 财政年份:2014
- 资助金额:
$ 4.01万 - 项目类别:
Discovery Grants Program - Individual
Detailed optical spectroscopy of transition metal compounds: discovering and tuning electronic structures and optical properties
过渡金属化合物的详细光谱:发现和调整电子结构和光学性质
- 批准号:
122103-2012 - 财政年份:2013
- 资助金额:
$ 4.01万 - 项目类别:
Discovery Grants Program - Individual
Detailed optical spectroscopy of transition metal compounds: discovering and tuning electronic structures and optical properties
过渡金属化合物的详细光谱:发现和调整电子结构和光学性质
- 批准号:
122103-2012 - 财政年份:2012
- 资助金额:
$ 4.01万 - 项目类别:
Discovery Grants Program - Individual
Electronic structure and physical properties of transiton metal compounds and molecular materials fundamental studies based on detailed optical spectroscopy
基于详细光谱的过渡金属化合物和分子材料的电子结构和物理性质基础研究
- 批准号:
122103-2005 - 财政年份:2011
- 资助金额:
$ 4.01万 - 项目类别:
Discovery Grants Program - Individual
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相似海外基金
Detailed optical spectroscopy of transition metal compounds: discovering and tuning electronic structures and optical properties
过渡金属化合物的详细光谱:发现和调整电子结构和光学性质
- 批准号:
122103-2012 - 财政年份:2016
- 资助金额:
$ 4.01万 - 项目类别:
Discovery Grants Program - Individual
Detailed optical spectroscopy of transition metal compounds: discovering and tuning electronic structures and optical properties
过渡金属化合物的详细光谱:发现和调整电子结构和光学性质
- 批准号:
122103-2012 - 财政年份:2014
- 资助金额:
$ 4.01万 - 项目类别:
Discovery Grants Program - Individual
Detailed optical spectroscopy of transition metal compounds: discovering and tuning electronic structures and optical properties
过渡金属化合物的详细光谱:发现和调整电子结构和光学性质
- 批准号:
122103-2012 - 财政年份:2013
- 资助金额:
$ 4.01万 - 项目类别:
Discovery Grants Program - Individual
Detailed optical spectroscopy of transition metal compounds: discovering and tuning electronic structures and optical properties
过渡金属化合物的详细光谱:发现和调整电子结构和光学性质
- 批准号:
122103-2012 - 财政年份:2012
- 资助金额:
$ 4.01万 - 项目类别:
Discovery Grants Program - Individual
Electronic structure and physical properties of transiton metal compounds and molecular materials fundamental studies based on detailed optical spectroscopy
基于详细光谱的过渡金属化合物和分子材料的电子结构和物理性质基础研究
- 批准号:
122103-2005 - 财政年份:2011
- 资助金额:
$ 4.01万 - 项目类别:
Discovery Grants Program - Individual