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| Home > Publications database > Symmetrical Hydrogen Bond in SO_{4} –H–SO_{4} Dimer in K_{3}H(SO_{4})_{2} by Neutron Diffraction |
| Home > Publications database > Symmetrical Hydrogen Bond in SO_{4} –H–SO_{4} Dimer in K_{3}H(SO_{4})_{2} by Neutron Diffraction |
| News | FZJ-2019-05566 |
; ; ;
2019
The Physical Society of Japan
Tokyo
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Please use a persistent id in citations: doi:10.7566/JPSJ.88.124601
Abstract: The hydrogen bond in K3H(SO4)2 was investigated using a neutron single crystal diffraction technique at room temperature and 2.3 K. The title compound crystallizes in the monoclinc space group A12/a1 (No. 15) and SO4 dimers are linked by symmetrical hydrogen bonds. Down to 2.3 K no evidence for the structural phase transition was observed, although the mineral letovicite (NH4)3H(SO4)2 shows various phase transitions at low temperatures owing to the proton ordering process. At room temperature, the nuclear density of the proton shows an elongation along two oxygen atoms with a distance between these two oxygen atoms of 2.504 Å. At 2.3 K, the proton density becomes more symmetrical, which is unusual in the hydrogen bonded systems reported thus far. The distance between two oxygen atoms is then 2.472 Å. Based on an analysis of the anisotropic displacement parameters, the hydrogen bond in the title compound seems to be a centered hydrogen bond or an intermediate form between a cigar-like shape and a disk-like shape.
Keyword(s): Chemical Reactions and Advanced Materials (1st) ; Chemistry (2nd) ; Crystallography (2nd)
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