lanthanide hydroxide
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Author(s):  
Mohammad Moniruzzaman ◽  
Taishi Kobayashi ◽  
Takayuki Sasaki

2021 ◽  
Vol 8 (1) ◽  
pp. 26-34
Author(s):  
Weiming Huang ◽  
Zhonghao Zhang ◽  
Yinglan Wu ◽  
Wanmin Chen ◽  
David A. Rotsch ◽  
...  

Controlled hydrolysis of lanthanide ions in the presence of histidine and halide templates of different sizes produced dodeca- and pentadecanuclear lanthanide hydroxide clusters.


2020 ◽  
Vol 49 (42) ◽  
pp. 14871-14880
Author(s):  
Alexander J. A. Dunn ◽  
James W. Annis ◽  
Janet M. Fisher ◽  
David Thompsett ◽  
Richard I. Walton

Lanthanide hydroxide-chlorides Ce1−xLnx(OH)2Cl for Ln = La, Pr, Gd, Tb crystallise from poly(ethylene) glycol (Mn = 400) at 240 °C. Subsequent thermal decomposition yields oxides Ce1−xLnxO2−δ with redox properties suited for heterogeneous catalysis.


2019 ◽  
Author(s):  
Hassan Harb ◽  
Lee Thompson ◽  
Hrant Hratchian

Lanthanide hydroxides are key species in a variety of catalytic processes and in the preparation of corresponding oxides. This work explores the fundamental structure and bonding of the simplest lanthanide hydroxide, LnOH (Ln=La-Lu), using density functional theory calculations. Interestingly, the calculations predict that all structures of this series will be linear. Furthermore, these results indicate a valence electron configuration featuring an occupied sigma orbital and two occupied pi orbitals for all LnOH compounds, suggesting that the lanthanide-hydroxide bond is best characterized as a covalent triple bond.


2019 ◽  
Author(s):  
Hassan Harb ◽  
Lee Thompson ◽  
Hrant Hratchian

Lanthanide hydroxides are key species in a variety of catalytic processes and in the preparation of corresponding oxides. This work explores the fundamental structure and bonding of the simplest lanthanide hydroxide, LnOH (Ln=La-Lu), using density functional theory calculations. Interestingly, the calculations predict that all structures of this series will be linear. Furthermore, these results indicate a valence electron configuration featuring an occupied sigma orbital and two occupied pi orbitals for all LnOH compounds, suggesting that the lanthanide-hydroxide bond is best characterized as a covalent triple bond.


2019 ◽  
Author(s):  
Hassan Harb ◽  
Lee Thompson ◽  
Hrant Hratchian

Lanthanide hydroxides are key species in a variety of catalytic processes and in the preparation of corresponding oxides. This work explores the fundamental structure and bonding of the simplest lanthanide hydroxide, LnOH (Ln=La-Lu), using density functional theory calculations. Interestingly, the calculations predict that all structures of this series will be linear. Furthermore, these results indicate a valence electron configuration featuring an occupied sigma orbital and two occupied pi orbitals for all LnOH compounds, suggesting that the lanthanide-hydroxide bond is best characterized as a covalent triple bond.


2019 ◽  
Author(s):  
Hassan Harb ◽  
Lee Thompson ◽  
Hrant Hratchian

Lanthanide hydroxides are key species in a variety of catalytic processes and in the preparation of corresponding oxides. This work explores the fundamental structure and bonding of the simplest lanthanide hydroxide, LnOH (Ln=La-Lu), using density functional theory calculations. Interestingly, the calculations predict that all structures of this series will be linear. Furthermore, these results indicate a valence electron configuration featuring an occupied sigma orbital and two occupied pi orbitals for all LnOH compounds, suggesting that the lanthanide-hydroxide bond is best characterized as a covalent triple bond.


2019 ◽  
Vol 21 (39) ◽  
pp. 21890-21897
Author(s):  
Hassan Harb ◽  
Lee M. Thompson ◽  
Hrant P. Hratchian

Density functional theory predicts that lanthanide hydroxides are linear, with the lanthanide-hydroxide bond being characterized as a covalent triple bond.


2018 ◽  
Vol 47 (45) ◽  
pp. 16211-16217 ◽  
Author(s):  
Joana T. Coutinho ◽  
Claudia C. L. Pereira ◽  
Joaquim Marçalo ◽  
José J. Baldoví ◽  
Manuel Almeida ◽  
...  

Experimental and semi-empirical calculations allowed the correlation of Ln electronic configurations and the diversity of different magnetic behaviors of these LLHs.


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