Na1.4InTe3.6O9.4: New Variant of a Hexagonal Tungsten Oxide (HTO)-Like Layered Framework Containing Both a Main-Group Cation, In3+, and a Lone-Pair Cation, Te4+

2013 ◽  
Vol 52 (11) ◽  
pp. 6236-6238 ◽  
Author(s):  
Dong Woo Lee ◽  
Kang Min Ok
Keyword(s):  
Tungsten Oxide ◽  
Lone Pair ◽  
Main Group ◽  
New Variant ◽  
Hexagonal Tungsten Oxide

Effect of delocalization of nonbonding electron density on the stability of the M–Ccarbene bond in main group metal-imidazol-2-ylidene complexes: a computational and structural database study

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Samuel Tetteh ◽  
Albert Ofori
Keyword(s):  
Electron Density ◽  
Lone Pair ◽  
Main Group ◽  
Binding Energies ◽  
Electrostatic Model ◽  
Group Metal ◽  
Main Group Metal ◽  
Structural Database ◽  
The Stability ◽  
Lone Pair Electrons

Abstract The M–Ccarbene bond in metal (M) complexes involving the imidazol-2-ylidene (Im) ligand has largely been described using the σ-donor only model with donation of σ electrons from the sp-hybridized orbital of the carbene carbon into vacant orbitals on the metal centre. Analyses of the M–Ccarbene bond in a series of group IA, IIA and IIIA main group metal complexes show that the M-Im interactions are mostly electrostatic with the M–Ccarbene bond distances greater than the sum of the respective covalent radii. Estimation of the binding energies of a series of metal hydride/fluoride/chloride imidazol-2-ylidene complexes revealed that the stability of the M–Ccarbene bond in these complexes is not always commensurate with the σ-only electrostatic model. Further natural bond orbital (NBO) analyses at the DFT/B3LYP level of theory revealed substantial covalency in the M–Ccarbene bond with minor delocalization of electron density from the lone pair electrons on the halide ligands into antibonding molecular orbitals on the Im ligand. Calculation of the thermodynamic stability of the M–Ccarbene bond showed that these interactions are mostly endothermic in the gas phase with reduced entropies giving an overall ΔG > 0.

Self-assembled pancake-like hexagonal tungsten oxide with ordered mesopores for supercapacitors

2018 ◽  
Vol 6 (31) ◽  
pp. 15330-15339 ◽  
Author(s):  
Jinzhi Jia ◽  
Xichuan Liu ◽  
Rui Mi ◽  
Nian Liu ◽  
Zhengwei Xiong ◽  
...  
Keyword(s):  
Tungsten Oxide ◽  
Hydrothermal Method ◽  
One Pot ◽  
Capacitive Performance ◽  
Hexagonal Tungsten Oxide ◽  
Self Assembled ◽  
Ordered Mesopores

Hexagonal WO3 with well-ordered mesopores was achieved using a one-pot hydrothermal method, and it exhibited excellent capacitive performance.

High-performance electrochromo-supercapacitors based on the synergetic effect between aqueous Al3+ and ordered hexagonal tungsten oxide nanorod arrays

2020 ◽  
Vol 8 (19) ◽  
pp. 9927-9938
Author(s):  
Xiangtao Huo ◽  
Xiwang Miao ◽  
Xing Han ◽  
Shujie Tang ◽  
Mei Zhang ◽  
...  
Keyword(s):  
Tungsten Oxide ◽  
High Performance ◽  
Synergetic Effect ◽  
Nanorod Arrays ◽  
Hexagonal Tungsten Oxide ◽  
Dual Performance

An electrochromo-supercapacitor, due to the synergetic effect between aqueous Al3+ and ordered hexagonal WO3 nanorod arrays, showed excellent electrochromic–capacitive dual-performance.

Nanosize hexagonal tungsten oxide for gas sensing applications

2008 ◽  
Vol 28 (5) ◽  
pp. 913-917 ◽  
Author(s):  
Csaba Balázsi ◽  
Lisheng Wang ◽  
Esra Ozkan Zayim ◽  
Imre Miklós Szilágyi ◽  
Katarína Sedlacková ◽  
...  
Keyword(s):  
Tungsten Oxide ◽  
Gas Sensing ◽  
Sensing Applications ◽  
Hexagonal Tungsten Oxide
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