scholarly journals Electron pairing and chemical bonds. Electron fluctuation and pair localization in ELF domains

2005 ◽  
Vol 26 (12) ◽  
pp. 1205-1213 ◽  
Author(s):  
Robert Ponec ◽  
Joaquin Chaves
Keyword(s):  
Chemical Bonds ◽  
Electron Pairing

Electron Pairing and Chemical Bonds. Physical Meaning of Effective Pairs

1994 ◽  
Vol 59 (12) ◽  
pp. 2567-2578 ◽  
Author(s):  
Robert Ponec ◽  
Filip Uhlík
Keyword(s):  
Density Distribution ◽  
Electron Density ◽  
Physical Meaning ◽  
Electron Density Distribution ◽  
Mutual Coupling ◽  
Population Analysis ◽  
Point Of View ◽  
Chemical Bonds ◽  
Conditional Probabilities ◽  
Electron Pairing

The physical meaning of the so-called effective pairs which have been introduced recently within the formalism of pair population analysis is discussed using the analysis of conditional probabilities of electron density distribution for electron 1 with the reference electron fixed in a certain point 2. It is demonstrated that from the point of view of the mutual coupling of electron motions, the effective pairs behave analogously to singlet pairs. Based on this finding, effective pairs can be interpreted as the fraction of singlet pairs that is directly involved in bonding.

Electron Pairing and Chemical Bonds

1994 ◽  
Vol 59 (3) ◽  
pp. 505-516 ◽  
Author(s):  
Robert Ponec
Keyword(s):  
Molecular Structure ◽  
Quantum Chemical ◽  
Population Analysis ◽  
Structural Formula ◽  
Chemical Bonds ◽  
Electron Pairing ◽  
Theoretical Evidence ◽  
Simple Molecules ◽  
Classical Picture

The recently proposed population analysis of pair densities is applied to the investigation of molecular structure of several simple molecules. The values of pairon populations straightforwardly reproduce the classical structural formula including the multiplicity of the bonds and provide thus the so far missing link between quantum chemical and Lewis's classical picture of bonding. As demonstrated, the formalism of the proposed approach provides strong theoretical evidence for the frequently expected but so far elusive role of electron pairing in chemical bonding.

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.

Use of a Method of Small X-Ray Line Shifts to Investigate the Electronic Structure of Crystal Chemical Bonds

1974 ◽  
Vol 113 (6) ◽  
pp. 360 ◽  
Author(s):  
O.M. Sumbaev ◽  
E.V. Petrovich ◽  
Yu.P. Smirnov ◽  
I.M. Band ◽  
Aleksandr I. Smirnov
Keyword(s):  
Electronic Structure ◽  
Crystal Chemical ◽  
Chemical Bonds ◽  
X Ray ◽  
Small X
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