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Highly Structured Water Networks in Microhydrated Dodecaborate Clusters

Journal Article · · Journal of Physical Chemistry Letters
 [1];  [2];  [3];  [1];  [2];  [4];  [3];  [1]
  1. East China Normal University (ECNU), Shanghai (China); Shanxi University, Taiyuan (China)
  2. East China Normal University (ECNU), Shanghai (China)
  3. Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
  4. East China Normal University (ECNU), Shanghai (China); Shanxi University, Taiyuan (China); New York University Shanghai (China)
+ Show Author Affiliations
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.
Research Organization:
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
Sponsoring Organization:
National Natural Science Foundation of China; Shanghai Rising-Star Program; USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division
Grant/Contract Number:
AC05-76RL01830
OSTI ID:
1907812
Report Number(s):
PNNL-SA-179086
Journal Information:
Journal of Physical Chemistry Letters, Journal Name: Journal of Physical Chemistry Letters Journal Issue: 50 Vol. 13; ISSN 1948-7185
Publisher:
American Chemical SocietyCopyright Statement
Country of Publication:
United States
Language:
English

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