Triple 1D1D superatomic bonding. Au22(dppo)6 as a Π4- and Δ2-triply bonded cluster based on Au11 assembled units

2020 ◽  
Vol 22 (3) ◽  
pp. 1422-1426 ◽  
Author(s):  
Alvaro Muñoz-Castro
Keyword(s):  
Valence Electron ◽  
Bonding Scheme

Our analysis reveals the Au22(dppo)6 cluster as a triple-bonded 22-valence electron (ve) supermolecule, featuring a bonding scheme based on 1D + 1D shell combinations, which largely contrasts with the developed bonding of [Au13]5+ core derivatives.

Chemical Species Identification in an SEM by Changes in Emitted X-Ray Energies

1974 ◽  
Vol 32 ◽  
pp. 570-571
Author(s):  
R. H. Duff
Keyword(s):  
Species Identification ◽  
Valence Electron ◽  
Chemical Species ◽  
X Rays ◽  
Chemical Bonds ◽  
Small Shift ◽  
X Ray ◽  
Electron Transitions ◽  
Peak Energy ◽  
Chemical Combination

A material irradiated with electrons emits x-rays having energies characteristic of the elements present. Chemical combination between elements results in a small shift of the peak energies of these characteristic x-rays because chemical bonds between different elements have different energies. The energy differences of the characteristic x-rays resulting from valence electron transitions can be used to identify the chemical species present and to obtain information about the chemical bond itself. Although these peak-energy shifts have been well known for a number of years, their use for chemical-species identification in small volumes of material was not realized until the development of the electron microprobe.

Valence electron spectroscopy of inhomogeneous media

1992 ◽  
Vol 50 (2) ◽  
pp. 1150-1151
Author(s):  
A. Howie ◽  
D.W. McComb
Keyword(s):  
Specific Gravity ◽  
Loss Function ◽  
Electron Spectroscopy ◽  
Valence Electron ◽  
Peak Height ◽  
Loss Functions ◽  
Loss Peak ◽  
High Energies ◽  
Valence Electron Density ◽  
Electron Microscopist

The bulk loss function Im(-l/ε (ω)), a well established tool for the interpretation of valence loss spectra, is being progressively adapted to the wide variety of inhomogeneous samples of interest to the electron microscopist. Proportionality between n, the local valence electron density, and ε-1 (Sellmeyer's equation) has sometimes been assumed but may not be valid even in homogeneous samples. Figs. 1 and 2 show the experimentally measured bulk loss functions for three pure silicates of different specific gravity ρ - quartz (ρ = 2.66), coesite (ρ = 2.93) and a zeolite (ρ = 1.79). Clearly, despite the substantial differences in density, the shift of the prominent loss peak is very small and far less than that predicted by scaling e for quartz with Sellmeyer's equation or even the somewhat smaller shift given by the Clausius-Mossotti (CM) relation which assumes proportionality between n (or ρ in this case) and (ε - 1)/(ε + 2). Both theories overestimate the rise in the peak height for coesite and underestimate the increase at high energies.

Valence electron energy loss spectroscopy in reflection geometry

1989 ◽  
Vol 47 ◽  
pp. 378-379
Author(s):  
J. Liu ◽  
J. M. Cowley
Keyword(s):  
Energy Loss ◽  
Valence Electron ◽  
Interband Transition ◽  
Specular Reflection ◽  
Three Dimensional ◽  
Electron Excitation ◽  
Transmission Electron ◽  
Yield Information ◽  
Valence Bands ◽  
Excitation Processes

The low energy loss region of a EELS spectrum carries information about the valence electron excitation processes (e.g., collective excitations for free electron like materials and interband transitions for insulators). The relative intensities and the positions of the interband transition energy loss peaks observed in EELS spectra are determined by the joint density of states (DOS) of the initial and final states of the excitation processes. Thus it is expected that EELS in reflection mode could yield information about the perturbation of the DOS of the conduction and valence bands of the bulk crystals caused by the termination of the three dimensional periodicity at the crystal surfaces. The experiments were performed in a Philipps 400T transmission electron microscope operated at 120 kV. The reflection EELS spectra were obtained by a Gatan 607 EELS spectrometer together with a Tracor data acquisition system and the resolution of the spectrometer was about 0.8 eV. All the reflection spectra are obtained from the specular reflection spots satisfying surface resonance conditions.

A New Condition of Formation and Stablity of All Crystalline Systems in a Good Agreement with Experimental Data

2015 ◽  
Vol 11 (3) ◽  
pp. 3224-3228
Author(s):  
Tarek El-Ashram
Keyword(s):  
Experimental Data ◽  
Brillouin Zone ◽  
Electron Concentration ◽  
Free Electron ◽  
Lattice Point ◽  
Valence Electron ◽  
Fermi Gas ◽  
Valence Electron Concentration ◽  
Fermi Sphere ◽  
Good Agreement

In this paper we derived a new condition of formation and stability of all crystalline systems and we checked its validity andit is found to be in a good agreement with experimental data. This condition is derived directly from the quantum conditionson the free electron Fermi gas inside the crystal. The new condition relates both the volume of Fermi sphere VF andvolume of Brillouin zone VB by the valence electron concentration VEC as ;𝑽𝑭𝑽𝑩= 𝒏𝑽𝑬𝑪𝟐for all crystalline systems (wheren is the number of atoms per lattice point).

On the Linear Geometry of Lanthanide Hydroxide (Ln—OH, Ln=La-Lu)

2019 ◽  
Author(s):  
Hassan Harb ◽  
Lee Thompson ◽  
Hrant Hratchian
Keyword(s):  
Triple Bond ◽  
Density Functional ◽  
Valence Electron ◽  
Density Functional Theory Calculations ◽  
Electron Configuration ◽  
Functional Theory ◽  
Key Species ◽  
Pi Orbitals ◽  
Lanthanide Hydroxide ◽  
Linear Geometry

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.

On the Linear Geometry of Lanthanide Hydroxide (Ln—OH, Ln=La-Lu)

2019 ◽  
Author(s):  
Hassan Harb ◽  
Lee Thompson ◽  
Hrant Hratchian
Keyword(s):  
Triple Bond ◽  
Density Functional ◽  
Valence Electron ◽  
Density Functional Theory Calculations ◽  
Electron Configuration ◽  
Functional Theory ◽  
Key Species ◽  
Pi Orbitals ◽  
Lanthanide Hydroxide ◽  
Linear Geometry

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.

Ferromagnetic Dirac Half-Metallicity in Transition Metal Embedded Honeycomb Borophene

2021 ◽  
Author(s):  
Yanxia Wang ◽  
Xue Jiang ◽  
Yi Wang ◽  
Jijun Zhao
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Valence Electron ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Next Generation ◽  
Half Metallicity ◽  
Counting Rule ◽  
Spintronic Devices ◽  
Electron Counting

Exploring two-dimensional (2D) ferromagnetic materials with intrinsic Dirac half-metallicity is crucial for the development of next-generation spintronic devices. Based on first-principles calculations, here we propose a simple valence electron-counting rule...

scholarly journals Spotlight on Alkali Metals: The Structural Chemistry of Alkali Metal Thallides

Crystals ◽  
2020 ◽  
Vol 10 (11) ◽  
pp. 1013
Author(s):  
Stefanie Gärtner
Keyword(s):  
Crystal Structure ◽  
Alkali Metal ◽  
Crystal Structures ◽  
Alkali Metals ◽  
Valence Electron ◽  
Oxidation States ◽  
Valence Electron Concentration ◽  
Base Metals ◽  
Charge Balancing

Alkali metal thallides go back to the investigative works of Eduard Zintl about base metals in negative oxidation states. In 1932, he described the crystal structure of NaTl as the first representative for this class of compounds. Since then, a bunch of versatile crystal structures has been reported for thallium as electronegative element in intermetallic solid state compounds. For combinations of thallium with alkali metals as electropositive counterparts, a broad range of different unique structure types has been observed. Interestingly, various thallium substructures at the same or very similar valence electron concentration (VEC) are obtained. This in return emphasizes that the role of the alkali metals on structure formation goes far beyond ancillary filling atoms, which are present only due to charge balancing reasons. In this review, the alkali metals are in focus and the local surroundings of the latter are discussed in terms of their crystallographic sites in the corresponding crystal structures.

Fabrication of YMnO3 Films: New Candidate for Non-Volatile Memory Devices

1996 ◽  
Vol 433 ◽  
Author(s):  
Norifumi Fujimura ◽  
Tadashi Ishida ◽  
Takeshi Yoshimura ◽  
Taichiro Ito
Keyword(s):  
Nonvolatile Memory ◽  
Valence Electron ◽  
Bottom Electrode ◽  
Rf Magnetron Sputtering ◽  
Film Deposition ◽  
Deposition Condition ◽  
Memory Devices ◽  
Non Volatile Memory ◽  
Nonvolatile Memory Devices ◽  
First Time

AbstractWe have proposed ReMnO3 (Re:rare earth) thin films, as a new candidate for nonvolatile memory devices. In this paper, we try to fabricate (0001) oriented YMnO3 films on (111)MgO, (0001)ZnO:Al/(0001) sapphire and (111)Pt/(111)MgO using rf magnetron sputtering. We succeed in obtaining (0001) epitaxial YMnO3 films on (111) MgO and (0001)ZnO:Al/(0001)sapphire substrate, and polycrystalline films on (111)Pt/(1 11)MgO for the first time. Electrical property of the bottom electrode (ZnO:Al) changes with varying the deposition condition of YMnO3 films. However, we find an optimum deposition condition of ZnO:Al film such that it functions as a bottom electrode even after YMnO3 film deposition. The dielectric properties of the epitaxial and polycrystalline YMnO3 films are almost the same. The YMnO3 films show leaky electrical properties. This may be caused by a change in the valence electron of Mn from 3+.

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