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Activation of a Copper Biscarbene Mechano‐Catalyst Using Single‐Molecule Force Spectroscopy Supported by Quantum Chemical Calculations
Single‐molecule force spectroscopy allows investigation of the effect of mechanical force on individual bonds. By determining the forces necessary to sufficiently activate bonds to trigger dissociation, it is possible to predict the behavior of mechanophores. The force necessary to activate a copper...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley and Sons Inc.
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8251802/ https://www.ncbi.nlm.nih.gov/pubmed/33822419 http://dx.doi.org/10.1002/chem.202100555 |
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author | Sammon, Matthew S. Biewend, Michel Michael, Philipp Schirra, Simone Ončák, Milan Binder, Wolfgang H. Beyer, Martin K. |
author_facet | Sammon, Matthew S. Biewend, Michel Michael, Philipp Schirra, Simone Ončák, Milan Binder, Wolfgang H. Beyer, Martin K. |
author_sort | Sammon, Matthew S. |
collection | PubMed |
description | Single‐molecule force spectroscopy allows investigation of the effect of mechanical force on individual bonds. By determining the forces necessary to sufficiently activate bonds to trigger dissociation, it is possible to predict the behavior of mechanophores. The force necessary to activate a copper biscarbene mechano‐catalyst intended for self‐healing materials was measured. By using a safety line bypassing the mechanophore, it was possible to pinpoint the dissociation of the investigated bond and determine rupture forces to range from 1.6 to 2.6 nN at room temperature in dimethyl sulfoxide. The average length‐increase upon rupture of the Cu−C bond, due to the stretching of the safety line, agrees with quantum chemical calculations, but the values exhibit an unusual scattering. This scattering was assigned to the conformational flexibility of the mechanophore, which includes formation of a threaded structure and recoiling of the safety line. |
format | Online Article Text |
id | pubmed-8251802 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | John Wiley and Sons Inc. |
record_format | MEDLINE/PubMed |
spelling | pubmed-82518022021-07-07 Activation of a Copper Biscarbene Mechano‐Catalyst Using Single‐Molecule Force Spectroscopy Supported by Quantum Chemical Calculations Sammon, Matthew S. Biewend, Michel Michael, Philipp Schirra, Simone Ončák, Milan Binder, Wolfgang H. Beyer, Martin K. Chemistry Full Papers Single‐molecule force spectroscopy allows investigation of the effect of mechanical force on individual bonds. By determining the forces necessary to sufficiently activate bonds to trigger dissociation, it is possible to predict the behavior of mechanophores. The force necessary to activate a copper biscarbene mechano‐catalyst intended for self‐healing materials was measured. By using a safety line bypassing the mechanophore, it was possible to pinpoint the dissociation of the investigated bond and determine rupture forces to range from 1.6 to 2.6 nN at room temperature in dimethyl sulfoxide. The average length‐increase upon rupture of the Cu−C bond, due to the stretching of the safety line, agrees with quantum chemical calculations, but the values exhibit an unusual scattering. This scattering was assigned to the conformational flexibility of the mechanophore, which includes formation of a threaded structure and recoiling of the safety line. John Wiley and Sons Inc. 2021-05-11 2021-06-16 /pmc/articles/PMC8251802/ /pubmed/33822419 http://dx.doi.org/10.1002/chem.202100555 Text en © 2021 The Authors. Chemistry - A European Journal published by Wiley-VCH GmbH https://creativecommons.org/licenses/by/4.0/This is an open access article under the terms of the http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited. |
spellingShingle | Full Papers Sammon, Matthew S. Biewend, Michel Michael, Philipp Schirra, Simone Ončák, Milan Binder, Wolfgang H. Beyer, Martin K. Activation of a Copper Biscarbene Mechano‐Catalyst Using Single‐Molecule Force Spectroscopy Supported by Quantum Chemical Calculations |
title | Activation of a Copper Biscarbene Mechano‐Catalyst Using Single‐Molecule Force Spectroscopy Supported by Quantum Chemical Calculations |
title_full | Activation of a Copper Biscarbene Mechano‐Catalyst Using Single‐Molecule Force Spectroscopy Supported by Quantum Chemical Calculations |
title_fullStr | Activation of a Copper Biscarbene Mechano‐Catalyst Using Single‐Molecule Force Spectroscopy Supported by Quantum Chemical Calculations |
title_full_unstemmed | Activation of a Copper Biscarbene Mechano‐Catalyst Using Single‐Molecule Force Spectroscopy Supported by Quantum Chemical Calculations |
title_short | Activation of a Copper Biscarbene Mechano‐Catalyst Using Single‐Molecule Force Spectroscopy Supported by Quantum Chemical Calculations |
title_sort | activation of a copper biscarbene mechano‐catalyst using single‐molecule force spectroscopy supported by quantum chemical calculations |
topic | Full Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8251802/ https://www.ncbi.nlm.nih.gov/pubmed/33822419 http://dx.doi.org/10.1002/chem.202100555 |
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