Resolving H(Cl, Br, I) capabilities of transforming solution hydrogen-bond and surface-stress

Significance Statement

HX (X = Cl, Br, I) protonated aqueous solutions are corrosive, surface stress destructive, and dilutive important to fields such as food chemistry, pharmaceutical sciences, and corrosion protection. The solute-solvent interaction in the acid solutions affects to some forms of drugs whose molecules are composed of excessive H-O dangling bonds, which functionalize cells via solution-protein interactions. However, it is still under debate on how water molecules interact with H+ proton and X- anions despite overwhelming researches since 1900’s.
The analysis of hydrogen bonding network has been a long-standing issue encompassing spectroscopies of sum frequency generation, neutron scattering, terahertz, Raman scattering, time-dependent infrared, among other experimental procedures. Proton transport dynamics have been the basis of research for many years. It has been assumed that the mobility of protons in liquid water is significantly high as opposed to water molecules. The insufficient understanding of the water structure and hydrogen bond and their response of the solution network to the ionic perturbation hindered the progress. Current understanding includes the H+ either shuttles between two water molecules or bonds firmly to a H2O to form a H3O with little knowledge on the functionality of the H+ protons or the X- anions in the acid solutions.
In a paper published in Chemical Physics Letters by researchers led by Xi Zhang and Changqing Sun in Shenzheng University, Yangtze Normal University, and Nanyang Technological University showed they can resolve the solute capabilities of transforming the hydrogen bond (O:H-O) from the mode of ordinary water to the hydration states. Such transition dictates the performance of the solutions. They verified their theory by using a combination of Raman phonon spectrometrics and density function theory computations.
Without any approximation or assumption, the authors confirmed the essentiality of H+-H+ point fragilization and X- polarization affecting the surface stress of HX solutions. The H+-H+ repulsion broke the network regularly. X- polarization shortened and stiffened the H-O bonds. The surface stress transformation followed the order of I > Br > Cl. The discovery of the intrinsic H+-H+ quantum fragilization and X- polarization as well as its impact on the solute-solvent functionality of the acid solutions could lead to will be the keys to the respective hydration networks.

Resolving H(Cl, Br, I) capabilities of transforming solution hydrogen bond and surface-stress-Advances in Engineering

About the author

Xi Zhang
Associate Professor
Institute of Nanosurface Science and Engineering
Shenzhen University

2008.08–2013.06    Ph.D,  Nanyang Technological University, Singapore
2004.08–20080.7    B.Sc: Material Physics, Civil Aviation University of China, Tianjin, China

Xi Zhang received her PhD degree at Nanyang Technological University, Singapore, with research focus on bond-order-length-strength mechanics modified Hubbard Theory, water and ice, quantum friction, and 2D material sensors. As first author, she published high-impact papers including Chemical Reviews (IF=36.7), Coordination Chemistry Reviews(IF=12.9),Progress in Solid state chemistry (IF=6.6), Carbon (IF=5.9), Nanoscale, etc.. Recipient of Shenzhen High-caliber Overseas Talent in 2015.

Reference

Xi Zhang, Yong Zhou, Yinyan Gong, Yongli Huang, Changqing Sun. Resolving H(Cl, Br, I) capabilities of transforming solution hydrogenbond and surface-stress. Chemical Physics Letters, volume 678 (2017), pages 233–240.

Go To Chemical Physics Letters

C.Q. Sun and Y. Sun, The Attribute of Water: Single Notion, Multiple Myths. Springer Ser. Chem. Phys. Vol. 113. 2016, Heidelberg: Springer-Verlag. 494 pp.

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