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Li 4 Ru 2 OCl 10 ·10H 2 O: crystal structure, magnetic properties and bonding interactions in ruthenium‐oxo complexes
Author(s) -
Mudiyanselage Ranuri S Dissanayaka,
Marshall Madalynn,
Kong Tai,
Xie Weiwei
Publication year - 2020
Publication title -
acta crystallographica section b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.604
H-Index - 33
ISSN - 2052-5206
DOI - 10.1107/s2052520620010914
Subject(s) - triclinic crystal system , ruthenium , crystallography , tetragonal crystal system , crystal structure , chemistry , diamagnetism , unpaired electron , single crystal , crystal (programming language) , bond length , molecule , physics , biochemistry , organic chemistry , quantum mechanics , magnetic field , computer science , programming language , catalysis
The results of the structural determination, magnetic characterization, and theoretical calculations of a new ruthenium‐oxo complex, Li 4 [Ru 2 OCl 10 ]·10H 2 O, are presented. Single crystals were grown using solvent methods and the crystal structure was characterized by single crystal X‐ray diffraction. Li 4 [Ru 2 OCl 10 ]·10H 2 O crystallizes into a low‐symmetry triclinic structure ( P 1 ) due to the much smaller Li + cation compared to K + cation in the tetragonal complex K 4 [Ru 2 OCl 10 ]·H 2 O. The X‐ray photoelectron spectra confirm only the single valent Ru 4+ in Li 4 [Ru 2 OCl 10 ]·10H 2 O even though two distinct Ru sites exist in the crystal structure. Magnetic measurements reveal the diamagnetic property of Li 4 [Ru 2 OCl 10 ]·10H 2 O with unpaired electrons existing on Ru 4+ . Furthermore, the molecular orbital analysis matches well with the observed UV and magnetic measurements.