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Origin of the isotropic motion in crystalline molecular rotors with carbazole stators
Herein we report two crystalline molecular rotors 1 and 4 that show extremely narrow signals in deuterium solid-state NMR spectroscopy. Although this line shape is typically associated with fast-moving molecular components, our VT (2)H NMR experiments, along with X-ray diffraction analyses and perio...
Autores principales: | , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Royal Society of Chemistry
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6482440/ https://www.ncbi.nlm.nih.gov/pubmed/31057769 http://dx.doi.org/10.1039/c8sc04398a |
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author | Colin-Molina, Abraham Jellen, Marcus J. García-Quezada, Eduardo Cifuentes-Quintal, Miguel Eduardo Murillo, Fernando Barroso, Jorge Pérez-Estrada, Salvador Toscano, Rubén A. Merino, Gabriel Rodríguez-Molina, Braulio |
author_facet | Colin-Molina, Abraham Jellen, Marcus J. García-Quezada, Eduardo Cifuentes-Quintal, Miguel Eduardo Murillo, Fernando Barroso, Jorge Pérez-Estrada, Salvador Toscano, Rubén A. Merino, Gabriel Rodríguez-Molina, Braulio |
author_sort | Colin-Molina, Abraham |
collection | PubMed |
description | Herein we report two crystalline molecular rotors 1 and 4 that show extremely narrow signals in deuterium solid-state NMR spectroscopy. Although this line shape is typically associated with fast-moving molecular components, our VT (2)H NMR experiments, along with X-ray diffraction analyses and periodic DFT computations show that this spectroscopic feature can also be originated from low-frequency intramolecular rotations of the central phenylene with a cone angle of 54.7° that is attained by the cooperative motion of the entire structure that distorts the molecular axis to rotation. In contrast, two isomeric structures (2 and 3) do not show a noticeable intramolecular rotation, because their crystallographic arrays showed very restricting close contacts. Our findings clearly indicate that the multiple components and phase transitions in crystalline molecular machines can work in concert to achieve the desired motion. |
format | Online Article Text |
id | pubmed-6482440 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | Royal Society of Chemistry |
record_format | MEDLINE/PubMed |
spelling | pubmed-64824402019-05-03 Origin of the isotropic motion in crystalline molecular rotors with carbazole stators Colin-Molina, Abraham Jellen, Marcus J. García-Quezada, Eduardo Cifuentes-Quintal, Miguel Eduardo Murillo, Fernando Barroso, Jorge Pérez-Estrada, Salvador Toscano, Rubén A. Merino, Gabriel Rodríguez-Molina, Braulio Chem Sci Chemistry Herein we report two crystalline molecular rotors 1 and 4 that show extremely narrow signals in deuterium solid-state NMR spectroscopy. Although this line shape is typically associated with fast-moving molecular components, our VT (2)H NMR experiments, along with X-ray diffraction analyses and periodic DFT computations show that this spectroscopic feature can also be originated from low-frequency intramolecular rotations of the central phenylene with a cone angle of 54.7° that is attained by the cooperative motion of the entire structure that distorts the molecular axis to rotation. In contrast, two isomeric structures (2 and 3) do not show a noticeable intramolecular rotation, because their crystallographic arrays showed very restricting close contacts. Our findings clearly indicate that the multiple components and phase transitions in crystalline molecular machines can work in concert to achieve the desired motion. Royal Society of Chemistry 2019-03-20 /pmc/articles/PMC6482440/ /pubmed/31057769 http://dx.doi.org/10.1039/c8sc04398a Text en This journal is © The Royal Society of Chemistry 2019 http://creativecommons.org/licenses/by/3.0/ This article is freely available. This article is licensed under a Creative Commons Attribution 3.0 Unported Licence (CC BY 3.0) |
spellingShingle | Chemistry Colin-Molina, Abraham Jellen, Marcus J. García-Quezada, Eduardo Cifuentes-Quintal, Miguel Eduardo Murillo, Fernando Barroso, Jorge Pérez-Estrada, Salvador Toscano, Rubén A. Merino, Gabriel Rodríguez-Molina, Braulio Origin of the isotropic motion in crystalline molecular rotors with carbazole stators |
title | Origin of the isotropic motion in crystalline molecular rotors with carbazole stators
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title_full | Origin of the isotropic motion in crystalline molecular rotors with carbazole stators
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title_fullStr | Origin of the isotropic motion in crystalline molecular rotors with carbazole stators
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title_full_unstemmed | Origin of the isotropic motion in crystalline molecular rotors with carbazole stators
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title_short | Origin of the isotropic motion in crystalline molecular rotors with carbazole stators
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title_sort | origin of the isotropic motion in crystalline molecular rotors with carbazole stators |
topic | Chemistry |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6482440/ https://www.ncbi.nlm.nih.gov/pubmed/31057769 http://dx.doi.org/10.1039/c8sc04398a |
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