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密度泛函理论辅助的小分子配体与钯配位的光谱研究：从孤立离子到纳米颗粒

DFT-Assisted Spectroscopic Studies on the Coordination of Small Ligands to Palladium: From Isolated Ions to Nanoparticles.

作者信息

Campisi Sebastiano, Beevers Cameron, Nasrallah Ali, Catlow C Richard A, Chan-Thaw Carine E, Manzoli Maela, Dimitratos Nikolaos, Willock David J, Roldan Alberto, Villa Alberto

机构信息

Dipartimento di Chimica, Università degli Studi di Milano, Via Golgi 19, I-20133 Milano, Italy.

Cardiff Catalysis Institute, School of Chemistry, Cardiff University, Main Building, Park Place, CF10 3AT Cardiff, U.K.

出版信息

J Phys Chem C Nanomater Interfaces. 2020 Feb 27;124(8):4781-4790. doi: 10.1021/acs.jpcc.9b09791. Epub 2020 Jan 27.

DOI:10.1021/acs.jpcc.9b09791
PMID:33828633
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8016172/
Abstract

A combination of experimental spectroscopies (UV-vis and Fourier-transform infrared) and computational modeling was used to investigate the coordination of small ligands (aminopropanol and propanediol) to Pd species during the metal nanoparticle formation process. Differences emerged between O- (propanediol) and N-containing (aminopropanol) ligands. In particular, a strong interaction between the NH amino group and Pd ions could be inferred on the basis of spectroscopic evidences, which was corroborated by theoretical simulations, which confirmed the preferential coordination of aminopropanol through the NH group. This interaction seems to potentially cause the aminopropanol ligand to control the particle shape through a selective blocking of Pd(100) facets, which promote the growth on the Pd(111) facets.

摘要

采用实验光谱学方法（紫外可见光谱和傅里叶变换红外光谱）与计算建模相结合的方式，研究了在金属纳米颗粒形成过程中小配体（氨基丙醇和丙二醇）与钯物种的配位情况。含氧基（丙二醇）配体和含氮（氨基丙醇）配体之间出现了差异。特别是，基于光谱证据可以推断出NH氨基与钯离子之间存在强相互作用，理论模拟证实了这一点，其确认了氨基丙醇通过NH基团的优先配位。这种相互作用似乎有可能使氨基丙醇配体通过选择性地阻断Pd(100)晶面来控制颗粒形状，从而促进在Pd(111)晶面上的生长。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea34/8016172/8ad6bde21879/jp9b09791_0003.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea34/8016172/8e7f6e8187aa/jp9b09791_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea34/8016172/8ad6bde21879/jp9b09791_0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea34/8016172/32f1f5c507f0/jp9b09791_0001.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea34/8016172/590d1950239a/jp9b09791_0005.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea34/8016172/2c4213c84d6e/jp9b09791_0007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea34/8016172/c933421ece5a/jp9b09791_0008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea34/8016172/1fc9db709164/jp9b09791_0009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea34/8016172/89f53e8e076c/jp9b09791_0010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea34/8016172/885019451698/jp9b09791_0011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea34/8016172/8e7f6e8187aa/jp9b09791_0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea34/8016172/8ad6bde21879/jp9b09791_0003.jpg

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本文引用的文献

1
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Langmuir. 2018 Dec 18;34(50):15517-15525. doi: 10.1021/acs.langmuir.8b02623. Epub 2018 Dec 10.
2
Ligand-Mediated Nucleation and Growth of Palladium Metal Nanoparticles.配体介导的钯金属纳米颗粒的成核与生长
J Vis Exp. 2018 Jun 25(136):57667. doi: 10.3791/57667.
3
Metal Catalysts for Heterogeneous Catalysis: From Single Atoms to Nanoclusters and Nanoparticles.
用于多相催化的金属催化剂：从单原子到纳米团簇和纳米颗粒
Chem Rev. 2018 May 23;118(10):4981-5079. doi: 10.1021/acs.chemrev.7b00776. Epub 2018 Apr 16.
4
Applications of UV/Vis Spectroscopy in Characterization and Catalytic Activity of Noble Metal Nanoparticles Fabricated in Responsive Polymer Microgels: A Review.UV/Vis 光谱学在响应性聚合物微凝胶中制备的贵金属纳米粒子的表征和催化活性中的应用：综述。
Crit Rev Anal Chem. 2018 Nov 2;48(6):503-516. doi: 10.1080/10408347.2018.1451299. Epub 2018 Mar 30.
5
The role and fate of capping ligands in colloidally prepared metal nanoparticle catalysts.胶体法制备的金属纳米颗粒催化剂中封端配体的作用和命运
Dalton Trans. 2018 May 1;47(17):5889-5915. doi: 10.1039/c7dt04728b.
6
Colloidal nanoparticle size control: experimental and kinetic modeling investigation of the ligand-metal binding role in controlling the nucleation and growth kinetics.胶体纳米颗粒粒径控制：配体-金属键在控制成核和生长动力学中的作用的实验和动力学建模研究。
Nanoscale. 2017 Sep 21;9(36):13772-13785. doi: 10.1039/c7nr04101b.
7
Quantitative Analysis of Different Formation Modes of Platinum Nanocrystals Controlled by Ligand Chemistry.通过配体化学控制的铂纳米晶体不同形成模式的定量分析。
Nano Lett. 2017 Oct 11;17(10):6146-6150. doi: 10.1021/acs.nanolett.7b02751. Epub 2017 Sep 11.
8
Surface Coordination Chemistry of Metal Nanomaterials.金属纳米材料的表面配位化学。
J Am Chem Soc. 2017 Feb 15;139(6):2122-2131. doi: 10.1021/jacs.6b10978. Epub 2017 Jan 26.
9
Geometries of Second-Row Transition-Metal Complexes from Density-Functional Theory.基于密度泛函理论的第二周期过渡金属配合物的几何结构
J Chem Theory Comput. 2007 Nov;3(6):2234-42. doi: 10.1021/ct700178y.
10
Nanomedicine Applications of Hybrid Nanomaterials Built from Metal-Ligand Coordination Bonds: Nanoscale Metal-Organic Frameworks and Nanoscale Coordination Polymers.基于金属-配体配位键构建的杂化纳米材料的纳米医学应用：纳米级金属有机框架和纳米级配位聚合物。
Chem Rev. 2015 Oct 14;115(19):11079-108. doi: 10.1021/acs.chemrev.5b00125. Epub 2015 Aug 27.