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

Raman spectroscopic characterization of selenium N-heterocyclic carbene compounds.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Muhammad Naeem Ashraf, Muhammad Irfan Majeed, Haq Nawaz, Muhammad Adnan Iqbal, Javed Iqbal, Nida Iqbal, Ahmad Hasan, Nosheen Rashid, Muhammad Abubakar, Muhammad Zaman Nawaz, Kashif Shahzad, Muhammad Zeeshan Haider

Affiliations

  1. Department of Chemistry, University of Agriculture Faisalabad, Faisalabad 38000, Pakistan.
  2. Department of Chemistry, University of Agriculture Faisalabad, Faisalabad 38000, Pakistan. Electronic address: [email protected].
  3. Department of Chemistry, University of Agriculture Faisalabad, Faisalabad 38000, Pakistan. Electronic address: [email protected].
  4. Department of Chemistry, University of Education, Faisalabad Campus, Faisalabad 38000, Pakistan.

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

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.

Copyright © 2021 Elsevier B.V. All rights reserved.

Keywords: Computational analysis; N-heterocyclic compound-I & II; Principal component analysis; Raman spectroscopy; Selone

Conflict of interest statement

Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this pa

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