I. David Brown: The chemical bond in inorganic chemistry: the bond valence model, 2nd ed

2017 ◽  
Vol 52 (17) ◽  
pp. 9959-9962
Author(s):  
Pedro H. C. Camargo
Keyword(s):  
Inorganic Chemistry ◽  
Chemical Bond ◽  
Bond Valence ◽  
Bond Valence Model

A revisit of the bond valence model makes it universal

2020 ◽  
Vol 22 (25) ◽  
pp. 13839-13849 ◽  
Author(s):  
Elena Levi ◽  
Doron Aurbach ◽  
Carlo Gatti
Keyword(s):  
Quantum Chemistry ◽  
Chemical Bond ◽  
Bond Valence ◽  
Bond Orders ◽  
Chemistry Data ◽  
Bond Valence Model

The application of Pauling's principles to any type of chemical bond can be validated using recent quantum chemistry data (bond orders), thus making them universal.

scholarly journals The Physical Origins of the Chemical Bond

2014 ◽  
Vol 70 (a1) ◽  
pp. C1689-C1689
Author(s):  
Ian Brown
Keyword(s):  
Electron Density ◽  
Chemical Bond ◽  
Covalent Bond ◽  
Electric Circuit ◽  
Covalent Bonding ◽  
Bond Valence ◽  
Ionic Model ◽  
Know How ◽  
Bond Model ◽  
Bond Valence Model

The properties of the chemical bond are the same as those of the electrostatic flux that links the cores of two bonded atoms via their bonding electrons. Both the bond and the flux depend only on the number of electrons that form the bond, and significantly, neither depends on how the electron density is distributed. This allows the rules of chemical bonding to be developed using classical electrostatic theory without the need to know how the electron density is distributed. The magnitude of the flux is equal to the bond order (bond valence) and hence correlates with the bond length [1]. A network of bonds is equivalent to a capacitive electric circuit which allows one to predict the bond fluxes, hence also the bond lengths. Bond angles are determined by the spherical symmetry of the flux around each atom, and the resulting bonding geometry can be predicted using little more than a pocket calculator. The rules of all the predictive bond models: the VSEPR model, the ionic model, the covalent bond model and the bond valence model can be derived using classical electrostatics without introducing problematic concepts such as hypervalency, dative bonding, hybridization and the dichotomy between ionic and covalent bonding, thus eliminating the paradoxes created by the physically questionable Lewis and orbital models. Quantum effects are rarely important except in the transition metals where in some cases they perturb the bonding geometry.

Crystallochemical analysis of the crystal structure of PbGa2S4: the bond valence model

2016 ◽  
Vol 39 (0) ◽  
pp. 7-11
Author(s):  
А. Я. Штейфан ◽  
В. І. Сідей ◽  
І. І. Небола ◽  
І. П. Студеняк
Keyword(s):  
Crystal Structure ◽  
Bond Valence ◽  
Bond Valence Model ◽  
Crystallochemical Analysis

scholarly journals Chemical-shift tensors of heavy nuclei in network solids: a DFT/ZORA investigation of 207Pb chemical-shift tensors using the bond-valence method

2015 ◽  
Vol 17 (38) ◽  
pp. 25014-25026 ◽  
Author(s):  
Fahri Alkan ◽  
C. Dybowski
Keyword(s):  
Chemical Shift ◽  
Quantum Chemistry ◽  
Principal Components ◽  
Bond Valence ◽  
Cluster Models ◽  
Magnetic Shielding ◽  
Heavy Nuclei ◽  
Chemical Shift Tensors ◽  
Accurate Computation ◽  
Bond Valence Model

Accurate computation of 207Pb magnetic shielding principal components is within the reach of quantum chemistry methods by employing relativistic ZORA/DFT and cluster models adapted from the bond valence model.

VALMAP2.0: contour maps using the bond-valence-sum method

1999 ◽  
Vol 32 (2) ◽  
pp. 341-344 ◽  
Author(s):  
Javier González-Platas ◽  
Cristina González-Silgo ◽  
Catalina Ruiz-Pérez
Keyword(s):  
Arbitrary Point ◽  
Bond Valence ◽  
Steric Effects ◽  
Contour Map ◽  
Structural Investigations ◽  
Disorder Phase Transition ◽  
Contour Maps ◽  
Bond Valence Sum ◽  
Bond Valence Model ◽  
Microsoft Windows

VALMAP2.0 is a Microsoft-Windows-based program designed to assist material scientists in accurate structural investigations. The aim ofVALMAPis to calculate the sum of bond valences that a particular atom would have if it were placed at any arbitrary point in the crystal. By movement of this atom through all possible points, its valence-sum contour map can be displayed. Parameters of the bond-valence model are available and may be modified. The program was tested in a number of cases and two examples of applications are reported: (i) finding probable atom sites in crystal structures; (ii) displacive and order–disorder phase transition mechanisms, analysing steric effects.

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