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
基本信息
- 批准号:RGPIN-2017-05918
- 负责人:
- 金额:$ 2.04万
- 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:2020
- 资助国家:加拿大
- 起止时间:2020-01-01 至 2021-12-31
- 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 concepts at the heart of chemistry, 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 and we are currently installing new instrumentation for time-resolved luminescence and transient absorption spectroscopy in the picosecond time range. Experimental spectroscopic results are analyzed with modern theoretical methods, such as the time dependent theory of electronic spectroscopy and electronic structure calculations. Calculated molecular geometries, such as bond lengths and angles, and calculated vibrational frequencies are compared to experimental crystallographic results and vibrational spectra 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 specific physical origins of the observed variations because many properties and parameters are varied simultaneously.
该应用的主要研究主题是通过包含过渡金属中心的分子构建块构建的过渡金属化合物和材料的电子结构的发现和详细表征。该计划将提供有关许多基本化学特性的见解,并为现代材料科学的多个领域做出了贡献,重点是开发具有微调光学,电子或磁性特性的材料。它为各级学生提供了一个具有挑战性的刺激培训环境,建立了化学,化学直觉和定量测量核心概念之间的迷人联系。
我们使用协调化学技术来准备我们的目标系统,并应用多种光谱技术来获得对其电子地面和激发态的见解。我们仪器的最新添加包括用于可变压力测量值的设置,我们目前正在安装新的仪器,以进行时间分辨的发光和Picsecond Time范围内的瞬时吸收光谱。通过现代理论方法分析实验光谱结果,例如电子光谱和电子结构计算的时间依赖理论。将计算出的分子几何形状(例如键长和角度)和计算的振动频率与实验晶体学结果和振动光谱进行了比较。光谱理论结构方法的组合将使我们能够理解和调整从金属配体键到分子间相互作用的影响。
我们预计,通过压力调节或温度变化,对环境对嵌入的过渡金属化合物的定量影响有明显的新见解。此信息与传感器或发光材料的设计有关。该程序的一个关键远程目标是通过不断变化的条件发现和理解趋势,而不是传统的不同化合物趋势的趋势插值,在这些化合物中,很难确定观察到的变化的特定物理起源,因为许多属性和参数是同时变化的。
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
Pressure-dependent luminescence spectroscopy of molybdenum(IV) oxo complexes
- DOI:
10.1039/b924242b - 发表时间:
2010-01-01 - 期刊:
- 影响因子:4
- 作者:
Lanthier, Etienne;Bendix, Jesper;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:
$ 2.04万 - 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:
$ 2.04万 - 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:
$ 2.04万 - 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:
$ 2.04万 - 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:
$ 2.04万 - 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:2015
- 资助金额:
$ 2.04万 - 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:
$ 2.04万 - 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:
$ 2.04万 - 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:
$ 2.04万 - 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:
$ 2.04万 - 项目类别:
Discovery Grants Program - Individual
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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:
$ 2.04万 - 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:
$ 2.04万 - 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:
$ 2.04万 - 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:
$ 2.04万 - 项目类别:
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Substrate-supported atomic-scale In nanowires:Structure, phase transition and spectroscopic properties
纳米线中基底支持的原子尺度:结构、相变和光谱特性
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