Molecular Rare-Earth-Metal Hydrides in Non-Cyclopentadienyl Environments

2014 ◽  
Vol 54 (6) ◽  
pp. 1724-1736 ◽  
Author(s):  
Waldemar Fegler ◽  
Ajay Venugopal ◽  
Mathias Kramer ◽  
Jun Okuda
2021 ◽  
Vol 129 (15) ◽  
pp. 153101
Author(s):  
Dmitrii Moldarev ◽  
Levin Stolz ◽  
Marcos V. Moro ◽  
Sigurbjörn M. Aðalsteinsson ◽  
Ioan-Augustin Chioar ◽  
...  

2008 ◽  
Vol 64 (a1) ◽  
pp. C610-C610
Author(s):  
A. Machida ◽  
T. Watanuki ◽  
A. Ohmura ◽  
K. Aoki ◽  
K. Takemura

2020 ◽  
Vol 10 (1) ◽  
Author(s):  
Hyunsoo Jeon ◽  
Chongze Wang ◽  
Seho Yi ◽  
Jun-Hyung Cho

Abstract The rare-earth metal hydrides with clathrate structures have been highly attractive because of their promising high-$$T_{\rm{c}}$$ T c superconductivity at high pressure. Recently, cerium hydride $$\hbox {CeH}_9$$ CeH 9 composed of Ce-encapsulated clathrate H cages was synthesized at much lower pressures of 80–100 GPa, compared to other experimentally synthesized rare-earth hydrides such as $$\hbox {LaH}_{{10}}$$ LaH 10 and $$\hbox {YH}_6$$ YH 6 . Based on density-functional theory calculations, we find that the Ce 5p semicore and 4f/5d valence states strongly hybridize with the H 1s state, while a transfer of electrons occurs from Ce to H atoms. Further, we reveal that the delocalized nature of Ce 4f electrons plays an important role in the chemical precompression of clathrate H cages. Our findings not only suggest that the bonding nature between the Ce atoms and H cages is characterized as a mixture of ionic and covalent, but also have important implications for understanding the origin of enhanced chemical precompression that results in the lower pressures required for the synthesis of $$\hbox {CeH}_9$$ CeH 9 .


ChemInform ◽  
2015 ◽  
Vol 46 (13) ◽  
pp. no-no
Author(s):  
Waldemar Fegler ◽  
Ajay Venugopal ◽  
Mathias Kramer ◽  
Jun Okuda

2017 ◽  
Vol 46 (4) ◽  
pp. 1218-1227 ◽  
Author(s):  
Chunhong Wang ◽  
Li Xiang ◽  
Xuebing Leng ◽  
Yaofeng Chen

The first boratabenzene derivatives of rare-earth metal hydrides were synthesized, and their reactivity was studied.


2009 ◽  
Vol 51 (6) ◽  
pp. 320-326 ◽  
Author(s):  
Akihiko MACHIDA ◽  
Tetsu WATANUKI ◽  
Katsutoshi AOKI

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