Electron Density Shifts during Chemical Bond Formation1

1965 ◽  
Vol 69 (10) ◽  
pp. 3346-3357 ◽  
Author(s):  
P. R. Smith ◽  
J. W. Richardson
Keyword(s):  
Electron Density ◽  
Chemical Bond ◽  
Electron Density Shifts

Probing Bias-Induced Electron Density Shifts in Metal–Molecule Interfaces via Tip-Enhanced Raman Scattering

2021 ◽  
Vol 143 (4) ◽  
pp. 1816-1821
Author(s):  
Kai Braun ◽  
Otto Hauler ◽  
Dai Zhang ◽  
Xiao Wang ◽  
Thomas Chassé ◽  
...  
Keyword(s):  
Raman Scattering ◽  
Electron Density ◽  
Electron Density Shifts ◽  
Enhanced Raman Scattering

Electron Density Analysis for the H2+ System Confined by Hard Walls: The Chemical Bond Under Extreme Conditions

2019 ◽  
Vol 531 (7) ◽  
pp. 1800476 ◽  
Author(s):  
Raymundo Hernández‐Esparza ◽  
Bruno Landeros‐Rivera ◽  
Rubicelia Vargas ◽  
Jorge Garza
Keyword(s):  
Electron Density ◽  
Chemical Bond ◽  
Extreme Conditions ◽  
Density Analysis ◽  
Electron Density Analysis

The Cl–O bond in chlorine oxides: Electronic structure and empirical force constants

2001 ◽  
Vol 79 (2-3) ◽  
pp. 597-609 ◽  
Author(s):  
R Escribano ◽  
R G Mosteo ◽  
P C Gómez
Keyword(s):  
Electronic Structure ◽  
Electron Density ◽  
Chemical Bond ◽  
Geometrical Structure ◽  
Force Constants ◽  
Isotopic Species ◽  
Different Types

The nature of the Cl–O chemical bond is investigated in a series of chlorine oxides. Several parameters, both experimental and theoretical, are used for this purpose. The geometrical structure is taken from the literature. Force constants are derived from experimental frequencies for 11 molecules, where data from isotopic species, up to a number of 52, are used. Also a topological study of the B3LYP/6-311+G(2d) electron density is carried out. All the parameters mentioned are related and discussed to analyse the different kinds of Cl–O bonds, and a classification is put forward, in which three different types of Cl–O bonds are found.PACS No.: 31.10tz

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