Communication: Infrared spectroscopy of salt-water complexes

To explore how the ion-pair in a single salt molecule evolves with the addition of water, infrared (IR) spectra of complexes composed of NaCl and multiple water molecules have been recorded for the first time. The NaCl(H2O)n complexes were formed and probed in liquid helium nanodroplets, and IR spec...

Full description

Bibliographic Details
Main Authors: Tandy, Jonathan D., Feng, Cheng, Boatwright, Adrian, Sarma, Gautam, Sadoon, Ahmed M., Shirley, Andrew, Rodrigues, Natercia Das Neves, Cunningham, Ethan M., Yang, Shengfu, Ellis, Andrew M.
Format: Article
Language:English
Published: 2016
Subjects:
Online Access:https://repository.londonmet.ac.uk/1022/1/Published%20JCP%20NaClwater%20complexes.pdf
_version_ 1804071617977909248
author Tandy, Jonathan D.
Feng, Cheng
Boatwright, Adrian
Sarma, Gautam
Sadoon, Ahmed M.
Shirley, Andrew
Rodrigues, Natercia Das Neves
Cunningham, Ethan M.
Yang, Shengfu
Ellis, Andrew M.
author_facet Tandy, Jonathan D.
Feng, Cheng
Boatwright, Adrian
Sarma, Gautam
Sadoon, Ahmed M.
Shirley, Andrew
Rodrigues, Natercia Das Neves
Cunningham, Ethan M.
Yang, Shengfu
Ellis, Andrew M.
author_sort Tandy, Jonathan D.
collection LMU
description To explore how the ion-pair in a single salt molecule evolves with the addition of water, infrared (IR) spectra of complexes composed of NaCl and multiple water molecules have been recorded for the first time. The NaCl(H2O)n complexes were formed and probed in liquid helium nanodroplets, and IR spectra were recorded for n = 1 → 4. The spectra for n = 1, 2, and 3 are consistent with formation of the lowest energy contact-ion pair structures in which each water molecule forms a single ionic hydrogen bond to an intact Na+Cl−ion-pair. Alternative structures with hydrogen bonding between water molecules become energetically competitive for n = 4, and the IR spectrum indicates likely the coexistence of at least two isomers.
first_indexed 2024-07-09T03:46:07Z
format Article
id oai:repository.londonmet.ac.uk:1022
institution London Metropolitan University
language English
last_indexed 2024-07-09T03:46:07Z
publishDate 2016
record_format eprints
spelling oai:repository.londonmet.ac.uk:10222020-06-22T14:38:41Z http://repository.londonmet.ac.uk/1022/ Communication: Infrared spectroscopy of salt-water complexes Tandy, Jonathan D. Feng, Cheng Boatwright, Adrian Sarma, Gautam Sadoon, Ahmed M. Shirley, Andrew Rodrigues, Natercia Das Neves Cunningham, Ethan M. Yang, Shengfu Ellis, Andrew M. 530 Physics 540 Chemistry & allied sciences To explore how the ion-pair in a single salt molecule evolves with the addition of water, infrared (IR) spectra of complexes composed of NaCl and multiple water molecules have been recorded for the first time. The NaCl(H2O)n complexes were formed and probed in liquid helium nanodroplets, and IR spectra were recorded for n = 1 → 4. The spectra for n = 1, 2, and 3 are consistent with formation of the lowest energy contact-ion pair structures in which each water molecule forms a single ionic hydrogen bond to an intact Na+Cl−ion-pair. Alternative structures with hydrogen bonding between water molecules become energetically competitive for n = 4, and the IR spectrum indicates likely the coexistence of at least two isomers. 2016-03-30 Article PeerReviewed text en https://repository.londonmet.ac.uk/1022/1/Published%20JCP%20NaClwater%20complexes.pdf Tandy, Jonathan D., Feng, Cheng, Boatwright, Adrian, Sarma, Gautam, Sadoon, Ahmed M., Shirley, Andrew, Rodrigues, Natercia Das Neves, Cunningham, Ethan M., Yang, Shengfu and Ellis, Andrew M. (2016) Communication: Infrared spectroscopy of salt-water complexes. The Journal of Chemical Physics, 144 (12). ISSN 0021-9606 http://dx.doi.org/10.1063/1.4945342 10.1063/1.4945342
spellingShingle 530 Physics
540 Chemistry & allied sciences
Tandy, Jonathan D.
Feng, Cheng
Boatwright, Adrian
Sarma, Gautam
Sadoon, Ahmed M.
Shirley, Andrew
Rodrigues, Natercia Das Neves
Cunningham, Ethan M.
Yang, Shengfu
Ellis, Andrew M.
Communication: Infrared spectroscopy of salt-water complexes
title Communication: Infrared spectroscopy of salt-water complexes
title_full Communication: Infrared spectroscopy of salt-water complexes
title_fullStr Communication: Infrared spectroscopy of salt-water complexes
title_full_unstemmed Communication: Infrared spectroscopy of salt-water complexes
title_short Communication: Infrared spectroscopy of salt-water complexes
title_sort communication infrared spectroscopy of salt water complexes
topic 530 Physics
540 Chemistry & allied sciences
url https://repository.londonmet.ac.uk/1022/1/Published%20JCP%20NaClwater%20complexes.pdf
work_keys_str_mv AT tandyjonathand communicationinfraredspectroscopyofsaltwatercomplexes
AT fengcheng communicationinfraredspectroscopyofsaltwatercomplexes
AT boatwrightadrian communicationinfraredspectroscopyofsaltwatercomplexes
AT sarmagautam communicationinfraredspectroscopyofsaltwatercomplexes
AT sadoonahmedm communicationinfraredspectroscopyofsaltwatercomplexes
AT shirleyandrew communicationinfraredspectroscopyofsaltwatercomplexes
AT rodriguesnaterciadasneves communicationinfraredspectroscopyofsaltwatercomplexes
AT cunninghamethanm communicationinfraredspectroscopyofsaltwatercomplexes
AT yangshengfu communicationinfraredspectroscopyofsaltwatercomplexes
AT ellisandrewm communicationinfraredspectroscopyofsaltwatercomplexes