Hydrogen Atom of KH2AsO4 Determined by Neutron Diffraction Study

Autor:	Tomoshi Akimoto, Tatsuki Miyoshi, Hiroyuki Mashiyama
Rok vydání:	2011
Předmět:	Nuclear magnetic resonance Materials science Hydrogen bond Transition temperature Neutron diffraction Analytical chemistry General Physics and Astronomy Maximum entropy method Neutron Crystal structure Hydrogen atom Nuclear density
Zdroj:	Journal of the Physical Society of Japan. 80:074607
ISSN:	1347-4073 0031-9015
DOI:	10.1143/jpsj.80.074607
Popis:	The crystal structure of KH 2 AsO 4 (KDA) is refined at room temperature by neutron single-crystal structural analysis. The distance R OO between two oxygen atoms bonded by a hydrogen atom is slightly longer than that in KH 2 PO 4 (KDP). A double-peak distribution of H with the splitting distance δ is visualized directly in the nuclear density map obtained by the maximum entropy method. The parameter δ of KDA is also larger than that of KDP, though the transition temperature of KDA is lower than that of KDP.
Databáze:	OpenAIRE
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