This title appears in the Scientific Report :
2019
Please use the identifier:
http://dx.doi.org/10.7566/JPSJ.88.124601 in citations.
Symmetrical Hydrogen Bond in SO_{4} –H–SO_{4} Dimer in K_{3}H(SO_{4})_{2} by Neutron Diffraction
Symmetrical Hydrogen Bond in SO_{4} –H–SO_{4} Dimer in K_{3}H(SO_{4})_{2} by Neutron Diffraction
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...
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Personal Name(s): | Oh, In-Hwan (Corresponding author) |
---|---|
Sohn, Yoo Jung / Meven, Martin / Heger, Gernot | |
Contributing Institute: |
Werkstoffsynthese und Herstellungsverfahren; IEK-1 Heinz Maier-Leibnitz Zentrum; MLZ JARA-FIT; JARA-FIT Streumethoden; JCNS-2 JCNS-FRM-II; JCNS-FRM-II |
Published in: | Journal of the Physical Society of Japan, 88 (2019) 12, S. 124601 - |
Imprint: |
Tokyo
The Physical Society of Japan
2019
|
DOI: |
10.7566/JPSJ.88.124601 |
Document Type: |
News |
Research Program: |
FRM II / MLZ Jülich Centre for Neutron Research (JCNS) |
Subject (ZB): | |
Publikationsportal JuSER |
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. |