Highly Structured Water Networks in Microhydrated Dodecaborate Clusters
Abstract
Here, we report a combined photoelectron spectroscopy and theoretical investigation of a series of size-selected hydrated closo-dodecaborate clusters B12X122–·nH2O (X = H, F, or I; n = 1–6). Distinct structural arrangements of water clusters from monomer to hexamer can be achieved by using different B12X122– bases, illustrating the evident solute specificity. Because B–H···H–O dihydrogen bonds are stronger than O···H–O hydrogen bonds in water, the added water molecules are arranged in a unified binding mode by forming highly structured water networks manipulated by B12H122–. As a comparison, the hydrated B12F122– clusters display similar water evolution for n values of 1 and 2 but different binding modes for larger clusters, while water networks in B12I122– share similarities with the free water clusters. This finding provides a consistent picture of the structural diversity of hydrogen bonding networks in microhydrated dodecaborates and a molecular-level understanding of microsolvation dynamics in aqueous borate chemistry.
- Authors:
-
- East China Normal University (ECNU), Shanghai (China); Shanxi University, Taiyuan (China)
- East China Normal University (ECNU), Shanghai (China)
- Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
- East China Normal University (ECNU), Shanghai (China); Shanxi University, Taiyuan (China); New York University Shanghai (China)
- Publication Date:
- Research Org.:
- Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division; National Natural Science Foundation of China (NSFC); Shanghai Rising-Star Program
- OSTI Identifier:
- 1907812
- Report Number(s):
- PNNL-SA-179086
Journal ID: ISSN 1948-7185
- Grant/Contract Number:
- AC05-76RL01830; 12274128; 12034008; 11727810; 21QA1402600
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Physical Chemistry Letters
- Additional Journal Information:
- Journal Volume: 13; Journal Issue: 50; Journal ID: ISSN 1948-7185
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Jiang, Yanrong, Cai, Zhaojie, Yuan, Qinqin, Cao, Wenjin, Hu, Zhubin, Sun, Haitao, Wang, Xue-Bin, and Sun, Zhenrong. Highly Structured Water Networks in Microhydrated Dodecaborate Clusters. United States: N. p., 2022.
Web. doi:10.1021/acs.jpclett.2c03537.
Jiang, Yanrong, Cai, Zhaojie, Yuan, Qinqin, Cao, Wenjin, Hu, Zhubin, Sun, Haitao, Wang, Xue-Bin, & Sun, Zhenrong. Highly Structured Water Networks in Microhydrated Dodecaborate Clusters. United States. https://doi.org/10.1021/acs.jpclett.2c03537
Jiang, Yanrong, Cai, Zhaojie, Yuan, Qinqin, Cao, Wenjin, Hu, Zhubin, Sun, Haitao, Wang, Xue-Bin, and Sun, Zhenrong. Wed .
"Highly Structured Water Networks in Microhydrated Dodecaborate Clusters". United States. https://doi.org/10.1021/acs.jpclett.2c03537. https://www.osti.gov/servlets/purl/1907812.
@article{osti_1907812,
title = {Highly Structured Water Networks in Microhydrated Dodecaborate Clusters},
author = {Jiang, Yanrong and Cai, Zhaojie and Yuan, Qinqin and Cao, Wenjin and Hu, Zhubin and Sun, Haitao and Wang, Xue-Bin and Sun, Zhenrong},
abstractNote = {Here, we report a combined photoelectron spectroscopy and theoretical investigation of a series of size-selected hydrated closo-dodecaborate clusters B12X122–·nH2O (X = H, F, or I; n = 1–6). Distinct structural arrangements of water clusters from monomer to hexamer can be achieved by using different B12X122– bases, illustrating the evident solute specificity. Because B–H···H–O dihydrogen bonds are stronger than O···H–O hydrogen bonds in water, the added water molecules are arranged in a unified binding mode by forming highly structured water networks manipulated by B12H122–. As a comparison, the hydrated B12F122– clusters display similar water evolution for n values of 1 and 2 but different binding modes for larger clusters, while water networks in B12I122– share similarities with the free water clusters. This finding provides a consistent picture of the structural diversity of hydrogen bonding networks in microhydrated dodecaborates and a molecular-level understanding of microsolvation dynamics in aqueous borate chemistry.},
doi = {10.1021/acs.jpclett.2c03537},
journal = {Journal of Physical Chemistry Letters},
number = 50,
volume = 13,
place = {United States},
year = {Wed Dec 14 00:00:00 EST 2022},
month = {Wed Dec 14 00:00:00 EST 2022}
}
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