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Synthesis, characterization and application of oxovanadium(iv) complexes with [NNO] donor ligands: X-ray structures of their corresponding dioxovanadium(v) complexes
Two oxovanadium(iv) complexes ligated by [NNO] donor ligands have been synthesized and characterized by ESI-HRMS, elemental (CHN) analysis and spectroscopic (UV-Vis, IR and EPR) techniques. Block shaped brown crystals from the methanolic solutions of these oxovanadium(iv) complexes were obtained dur...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9076100/ https://www.ncbi.nlm.nih.gov/pubmed/35541435 http://dx.doi.org/10.1039/d2ra01448c |
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author | Borah, Rakhimoni Lahkar, Surabhi Deori, Naranarayan Brahma, Sanfaori |
author_facet | Borah, Rakhimoni Lahkar, Surabhi Deori, Naranarayan Brahma, Sanfaori |
author_sort | Borah, Rakhimoni |
collection | PubMed |
description | Two oxovanadium(iv) complexes ligated by [NNO] donor ligands have been synthesized and characterized by ESI-HRMS, elemental (CHN) analysis and spectroscopic (UV-Vis, IR and EPR) techniques. Block shaped brown crystals from the methanolic solutions of these oxovanadium(iv) complexes were obtained during the crystallization process. Crystallographic structures of the resulting crystals revealed that the original oxovanadium(iv) complexes have been transformed into new dioxovanadium(v) complexes with concomitant oxidation of V(IV) to V(V). The original oxovanadium(iv) complexes have been identified to be an efficient catalyst for the CO(2) cycloaddition reaction with epoxides resulting up to 100% cyclic carbonate products. The geometries of oxovanadium(iv) complexes are optimized by the density functional theory (DFT) calculations at the uB3LYP/6-31G**/LANL2DZ level of theory. The geometry and structural parameters of optimized structures of oxovanadium(iv) complexes are in excellent agreement with the parameters of X-ray structures of their dioxovanadium(v) counterparts. Further, TD-DFT and Spin Density Plots for the oxovanadium(iv) complexes are performed in order to get more insights about their electronic absorption and EPR spectroscopies, respectively. |
format | Online Article Text |
id | pubmed-9076100 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | The Royal Society of Chemistry |
record_format | MEDLINE/PubMed |
spelling | pubmed-90761002022-05-09 Synthesis, characterization and application of oxovanadium(iv) complexes with [NNO] donor ligands: X-ray structures of their corresponding dioxovanadium(v) complexes Borah, Rakhimoni Lahkar, Surabhi Deori, Naranarayan Brahma, Sanfaori RSC Adv Chemistry Two oxovanadium(iv) complexes ligated by [NNO] donor ligands have been synthesized and characterized by ESI-HRMS, elemental (CHN) analysis and spectroscopic (UV-Vis, IR and EPR) techniques. Block shaped brown crystals from the methanolic solutions of these oxovanadium(iv) complexes were obtained during the crystallization process. Crystallographic structures of the resulting crystals revealed that the original oxovanadium(iv) complexes have been transformed into new dioxovanadium(v) complexes with concomitant oxidation of V(IV) to V(V). The original oxovanadium(iv) complexes have been identified to be an efficient catalyst for the CO(2) cycloaddition reaction with epoxides resulting up to 100% cyclic carbonate products. The geometries of oxovanadium(iv) complexes are optimized by the density functional theory (DFT) calculations at the uB3LYP/6-31G**/LANL2DZ level of theory. The geometry and structural parameters of optimized structures of oxovanadium(iv) complexes are in excellent agreement with the parameters of X-ray structures of their dioxovanadium(v) counterparts. Further, TD-DFT and Spin Density Plots for the oxovanadium(iv) complexes are performed in order to get more insights about their electronic absorption and EPR spectroscopies, respectively. The Royal Society of Chemistry 2022-05-06 /pmc/articles/PMC9076100/ /pubmed/35541435 http://dx.doi.org/10.1039/d2ra01448c Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by/3.0/ |
spellingShingle | Chemistry Borah, Rakhimoni Lahkar, Surabhi Deori, Naranarayan Brahma, Sanfaori Synthesis, characterization and application of oxovanadium(iv) complexes with [NNO] donor ligands: X-ray structures of their corresponding dioxovanadium(v) complexes |
title | Synthesis, characterization and application of oxovanadium(iv) complexes with [NNO] donor ligands: X-ray structures of their corresponding dioxovanadium(v) complexes |
title_full | Synthesis, characterization and application of oxovanadium(iv) complexes with [NNO] donor ligands: X-ray structures of their corresponding dioxovanadium(v) complexes |
title_fullStr | Synthesis, characterization and application of oxovanadium(iv) complexes with [NNO] donor ligands: X-ray structures of their corresponding dioxovanadium(v) complexes |
title_full_unstemmed | Synthesis, characterization and application of oxovanadium(iv) complexes with [NNO] donor ligands: X-ray structures of their corresponding dioxovanadium(v) complexes |
title_short | Synthesis, characterization and application of oxovanadium(iv) complexes with [NNO] donor ligands: X-ray structures of their corresponding dioxovanadium(v) complexes |
title_sort | synthesis, characterization and application of oxovanadium(iv) complexes with [nno] donor ligands: x-ray structures of their corresponding dioxovanadium(v) complexes |
topic | Chemistry |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9076100/ https://www.ncbi.nlm.nih.gov/pubmed/35541435 http://dx.doi.org/10.1039/d2ra01448c |
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