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拉曼光谱对硒 N-杂环卡宾化合物的特征分析。

Raman spectroscopic characterization of selenium N-heterocyclic carbene compounds.

机构信息

Department of Chemistry, University of Agriculture Faisalabad, Faisalabad 38000, Pakistan.

Department of Chemistry, University of Agriculture Faisalabad, Faisalabad 38000, Pakistan.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2022 Apr 5;270:120823. doi: 10.1016/j.saa.2021.120823. Epub 2021 Dec 30.

DOI:10.1016/j.saa.2021.120823
PMID:34998053
Abstract

In this study, Raman spectroscopy is employed to analyze and characterize two salts (N-heterocyclic carbene) and their respective selenium N-heterocyclic carbene compounds. The features observed as differences among Raman spectral data of two different N-heterocyclic carbene salts are called Salt-I and Salt-II and their respective Se compounds, called Compound-I & Compound-II, are used to confirm the formation covalent bond between Se atom carbon atom of carbene. Enhancement in peak intensities and shifting of peak positions is directly related with compound formation. Raman spectral data provide a detail information about bond formation, chemical and structural differences between salts and compounds. The observed Raman spectral features of both salts and compounds are in consistent with computationally calculated Raman spectral features. Raman spectral features of each salt and its respective compound was further analyzed with principal component analysis, which was found helpful for differentiating each salt from its respective compound.

摘要

在这项研究中,拉曼光谱被用来分析和表征两种盐(氮杂环卡宾)及其各自的硒氮杂环卡宾化合物。在两种不同氮杂环卡宾盐的拉曼光谱数据中观察到的特征差异被称为盐-I 和盐-II,它们各自的硒化合物,称为化合物-I 和化合物-II,被用来证实硒原子与卡宾碳原子之间形成了共价键。峰强度的增强和峰位置的移动与化合物的形成直接相关。拉曼光谱数据提供了关于键形成、盐和化合物之间化学和结构差异的详细信息。观察到的两种盐和化合物的拉曼光谱特征与计算得出的拉曼光谱特征一致。对每个盐及其各自的化合物的拉曼光谱特征进一步进行了主成分分析,发现这有助于区分每个盐与其各自的化合物。

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