On the Structure of the [XeOF5]- Anion and of Heptacoordinated Complex Fluorides Containing One or Two Highly Repulsive Ligands or Sterically Active Free Valence Electron Pairs

1995 ◽  
Vol 34 (7) ◽  
pp. 1868-1874 ◽  
Author(s):  
Karl O. Christe ◽  
David A. Dixon ◽  
Jeremy C. P. Sanders ◽  
Gary J. Schrobilgen ◽  
Scott S. Tsai ◽  
...  
Keyword(s):  
Valence Electron ◽  
Free Valence ◽  
Electron Pairs ◽  
Complex Fluorides

Theoretical Calculation of the Polytypism Transition Temperature of Titanium Alloys on the Valence Electron Level

2012 ◽  
Vol 152-154 ◽  
pp. 342-347
Author(s):  
Hua Qu ◽  
Wei Dong Liu
Keyword(s):  
Transition Temperature ◽  
Titanium Alloys ◽  
Valence Electron ◽  
Pure Titanium ◽  
Electron Theory ◽  
Electron Level ◽  
Valence Electron Structure ◽  
Electron Pairs ◽  
Stable Element ◽  
Empirical Electron Theory

Based on the polytypism transition temperature(PPT) of pure titanium, the the empirical electron theory of solids and molecules(EET) and the basic theory of the phase transformation of titanium alloys, a new method to calculate the PTT of titanium alloys is put forward after calculating the valence electron structure(VES) parameter nA which is the covalence electron pairs on the strongest bond of alloy phases, the crystal cell weight of  and  phases in the structure, the compensation coefficient of the phase and the temperature coefficient of  stable element. After calculating the PTT of some common titanium alloys, we find that the theoretical values are consistent with the experimental ones, so it is feasible to calculate the polytypism transition temperature of the titanium alloys on the covalence electron level.

Influence of Micro-Addition Chromium on the Valence Electron Structure and Toughness of Fe2B Phase

2010 ◽  
Vol 34-35 ◽  
pp. 1135-1139
Author(s):  
Rui Na Ma ◽  
Yong Zhe Fan ◽  
Xiao Ming Cao ◽  
Ming Wen
Keyword(s):  
Fracture Toughness ◽  
Valence Electron ◽  
Chromium Content ◽  
Electron Structure ◽  
Valence Electron Structure ◽  
Electron Pairs ◽  
Good Corrosion Resistance ◽  
Length Difference ◽  
Fe2b Phase ◽  
Good Agreement

Fe2B is a kind of typical intermetallic compound, which has good corrosion resistance in molten zinc. However, the fatal intrinsic brittleness limits its further application in the Hot-Dip Galvanizing Industry. Therefore, it is worthwhile to improve the toughness of Fe2B phase. In this study, the fracture toughness property of Fe2B phase with and without micro-addition chromium is investigated. In comparison with pure Fe2B phase, the intrinsic brittleness of Fe2B phase with chromium is lower. In addition, the valence electron structure of Fe2B containing various chromium content is calculated by the method of bond length difference (BLD). The results show that, in the (Fe1-x Crx)2B phase, the number of covalent electron pairs and the weaker bond energy are increased by the substituting atom-Cr. The calculated results are in good agreement with experimental observations.

Free Valence Electron Centralization Strategy for Preparing Ultrastable Nanoclusters and Their Catalytic Application

2019 ◽  
Vol 58 (16) ◽  
pp. 11000-11009 ◽  
Author(s):  
Xi Kang ◽  
Hadi Abroshan ◽  
Shuxin Wang ◽  
Manzhou Zhu
Keyword(s):  
Valence Electron ◽  
Free Valence ◽  
Catalytic Application

Band-Resolved Double Photoemission Spectroscopy on Correlated Valence Electron Pairs in Metals

2017 ◽  
Vol 118 (13) ◽  
Author(s):  
Andreas Trützschler ◽  
Michael Huth ◽  
Cheng-Tien Chiang ◽  
Robin Kamrla ◽  
Frank O. Schumann ◽  
...  
Keyword(s):  
Valence Electron ◽  
Photoemission Spectroscopy ◽  
Electron Pairs

Photoelektronenspektren und Moleküleigenschaften, LXIV. Dimethyldiselenid — ein Beispiel für die Wechselwirkung zwischen benachbarten Elektronenpaaren / Photoelectron Spectra and Molecular Properties, LXIV. Dimethyldiselenide - an Example for the Interaction between Adjacent Electron Pairs

1976 ◽  
Vol 31 (12) ◽  
pp. 1616-1620 ◽  
Author(s):  
Galina Tschmutowa ◽  
Hans Bock
Keyword(s):  
General Model ◽  
Photoelectron Spectrum ◽  
Valence Electron ◽  
Lone Pair ◽  
Dimethyl Disulfide ◽  
Molecular Properties ◽  
Photoelectron Spectra ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Electron Pairs

The well-resolved helium(I) photoelectron spectrum of H3C-Se—Se-CH3 exhibits distinct bands corresponding to 11 of the total 13 valence electron ionizations. The unequivocal assignment is supported by EHMO calculations including spin/orbit coupling. The two selenium lone pair ionizations differ by 0.23 eV; a split observed also for dimethyl disulfide and discussed within a general model for interactions between adjacent lone pairs.

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