Ultrafast Water H-Bond Rearrangement in a Metal–Organic Framework Probed by Femtosecond Time-Resolved Infrared Spectroscopy

[Image: see text] We investigated the water H-bond network and its dynamics in Ni(2)Cl(2)BTDD, a prototypical MOF for atmospheric water harvesting, using linear and ultrafast IR spectroscopy. Utilizing isotopic labeling and infrared spectroscopy, we found that water forms an extensive H-bonding netw...

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Autores principales: Valentine, Mason L., Yin, Guoxin, Oppenheim, Julius J., Dincǎ, Mircea, Xiong, Wei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10236489/
https://www.ncbi.nlm.nih.gov/pubmed/37201196
http://dx.doi.org/10.1021/jacs.3c01728
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author Valentine, Mason L.
Yin, Guoxin
Oppenheim, Julius J.
Dincǎ, Mircea
Xiong, Wei
author_facet Valentine, Mason L.
Yin, Guoxin
Oppenheim, Julius J.
Dincǎ, Mircea
Xiong, Wei
author_sort Valentine, Mason L.
collection PubMed
description [Image: see text] We investigated the water H-bond network and its dynamics in Ni(2)Cl(2)BTDD, a prototypical MOF for atmospheric water harvesting, using linear and ultrafast IR spectroscopy. Utilizing isotopic labeling and infrared spectroscopy, we found that water forms an extensive H-bonding network in Ni(2)Cl(2)BTDD. Further investigation with ultrafast spectroscopy revealed that water can reorient in a confined cone up to ∼50° within 1.3 ps. This large angle reorientation indicates H-bond rearrangement, similar to bulk water. Thus, although the water H-bond network is confined in Ni(2)Cl(2)BTDD, different from other confined systems, H-bond rearrangement is not hindered. The picosecond H-bond rearrangement in Ni(2)Cl(2)BTDD corroborates its reversibility with minimal hysteresis in water sorption.
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spelling pubmed-102364892023-06-03 Ultrafast Water H-Bond Rearrangement in a Metal–Organic Framework Probed by Femtosecond Time-Resolved Infrared Spectroscopy Valentine, Mason L. Yin, Guoxin Oppenheim, Julius J. Dincǎ, Mircea Xiong, Wei J Am Chem Soc [Image: see text] We investigated the water H-bond network and its dynamics in Ni(2)Cl(2)BTDD, a prototypical MOF for atmospheric water harvesting, using linear and ultrafast IR spectroscopy. Utilizing isotopic labeling and infrared spectroscopy, we found that water forms an extensive H-bonding network in Ni(2)Cl(2)BTDD. Further investigation with ultrafast spectroscopy revealed that water can reorient in a confined cone up to ∼50° within 1.3 ps. This large angle reorientation indicates H-bond rearrangement, similar to bulk water. Thus, although the water H-bond network is confined in Ni(2)Cl(2)BTDD, different from other confined systems, H-bond rearrangement is not hindered. The picosecond H-bond rearrangement in Ni(2)Cl(2)BTDD corroborates its reversibility with minimal hysteresis in water sorption. American Chemical Society 2023-05-18 /pmc/articles/PMC10236489/ /pubmed/37201196 http://dx.doi.org/10.1021/jacs.3c01728 Text en © 2023 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Valentine, Mason L.
Yin, Guoxin
Oppenheim, Julius J.
Dincǎ, Mircea
Xiong, Wei
Ultrafast Water H-Bond Rearrangement in a Metal–Organic Framework Probed by Femtosecond Time-Resolved Infrared Spectroscopy
title Ultrafast Water H-Bond Rearrangement in a Metal–Organic Framework Probed by Femtosecond Time-Resolved Infrared Spectroscopy
title_full Ultrafast Water H-Bond Rearrangement in a Metal–Organic Framework Probed by Femtosecond Time-Resolved Infrared Spectroscopy
title_fullStr Ultrafast Water H-Bond Rearrangement in a Metal–Organic Framework Probed by Femtosecond Time-Resolved Infrared Spectroscopy
title_full_unstemmed Ultrafast Water H-Bond Rearrangement in a Metal–Organic Framework Probed by Femtosecond Time-Resolved Infrared Spectroscopy
title_short Ultrafast Water H-Bond Rearrangement in a Metal–Organic Framework Probed by Femtosecond Time-Resolved Infrared Spectroscopy
title_sort ultrafast water h-bond rearrangement in a metal–organic framework probed by femtosecond time-resolved infrared spectroscopy
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10236489/
https://www.ncbi.nlm.nih.gov/pubmed/37201196
http://dx.doi.org/10.1021/jacs.3c01728
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