Dihydrogen Bonds in Aqueous NaBD Solution by Neutron and X-ray Diffraction.

07:00 EST 13th February 2020 | BioPortfolio

Summary of "Dihydrogen Bonds in Aqueous NaBD Solution by Neutron and X-ray Diffraction."

Neutron diffraction, X-ray diffraction, and empirical potential structure refinement modeling were employed to study the structure of alkaline aqueous NaBD solutions at different NaBD concentrations and temperatures. In 1.0 mol·dm NaBD aqueous solutions, about 5.6 ± 1.6 water molecules bond to BD via tetrahedral edges or tetrahedral corners without a very specific hydration geometry; that is, each hydrogen atom of BD bonds to 2.2 ± 1.0 water molecules through dihydrogen bonds with the D(B)···D(W) distance of 1.95 Å. The number of dihydrogen bonds decreases with increasing concentration and increases with temperature. Dihydrogen bonding is a predominantly electrostatic interaction which shows relatively lower directionality and saturability in comparison with the regular hydrogen bonds between water molecules. The water orientation around BD shows that the proportion of tetrahedral-edge dihydrogen bonds increases with temperature and decreases with concentration.


Journal Details

This article was published in the following journal.

Name: The journal of physical chemistry letters
ISSN: 1948-7185
Pages: 1622-1628


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