Zinc phosphide (Zn3P2) bond length, effective charge, electronegativities, ionicity, electron affinity

2005 ◽  
pp. 1-2
Author(s):  
Keyword(s):  
Bond Length ◽  
Electron Affinity ◽  
Effective Charge ◽  
Zinc Phosphide

A LiK-edge XANES study of salts and minerals

2018 ◽  
Vol 25 (2) ◽  
pp. 543-551 ◽  
Author(s):  
Cedrick O'Shaughnessy ◽  
Grant S. Henderson ◽  
Benjamin J. A. Moulton ◽  
Lucia Zuin ◽  
Daniel R. Neuville
Keyword(s):  
Bond Length ◽  
Absorption Edge ◽  
Electron Affinity ◽  
Lower Energy ◽  
Maximum Intensity ◽  
Lithium Aluminosilicate ◽  
Lithium Compounds ◽  
Peak Intensity ◽  
Length Distortion

The first comprehensive LiK-edge XANES study of a varied suite of Li-bearing minerals is presented. Drastic changes in the bonding environment for lithium are demonstrated and this can be monitored using the position and intensity of the main LiK-absorption edge. The complex silicates confirm the assignment of the absorption edge to be a convolution of triply degeneratep-like states as previously proposed for simple lithium compounds. The LiK-edge position depends on the electronegativity of the element to which it is bound. The intensity of the first peak varies depending on the existence of a 2pelectron and can be used to evaluate the degree of ionicity of the bond. The presence of a 2pelectron results in a weak first-peak intensity. The maximum intensity of the absorption edge shifts to lower energy with increasing SiO2content for the lithium aluminosilicate minerals. The bond length distortion of the lithium aluminosilicates decreases with increasing SiO2content, thus increased distortion leads to an increase in edge energy which measures lithium's electron affinity.

Bond Length, Polarity, and Electronegativity

1974 ◽  
Vol 29 (6) ◽  
pp. 971-973 ◽  
Author(s):  
G. van Hooydonk
Keyword(s):  
Bond Length ◽  
Electron Affinity ◽  
Chemical Bonding ◽  
Valence State ◽  
Ionization Energy ◽  
Definite Answer

The question of bond shortening in heteronuclear bonds is reconsidered in the light of the results obtained with an ionic approximation to chemical bonding. A definite answer can only be given when the relation between an elements valence-state-ionization energy and -electron affinity is understood. Two empirical bond shortening relations, i. e. those of Schomaker-Stevenson and Huggins, are shown to be incompatible.

On an Ionic Approximation to Homonuclear Bonding

1973 ◽  
Vol 28 (11) ◽  
pp. 1836-1842 ◽  
Author(s):  
G. Van Hooydonk
Keyword(s):  
Bond Length ◽  
Electron Affinity ◽  
Bond Energy ◽  
Ionization Energy ◽  
Electron Affinities ◽  
Simple Correlation ◽  
Molecular Constants ◽  
Bond Stability

An ionic, i.e. basicly an electrostatic, approximation to homonuclear bonding between several monovalent atoms is examined. A simple correlation seems to exist between molecular constants (bond length and bond energy) and atomic constants (ionization energy and electron affinity). Bond stability is explained in terms of a saturation of the electron affinities of the bonding partners.

A Multi-Layer Approach to the Equation of Motion Coupled-Cluster Method for the Electron Affinity

2020 ◽  
Author(s):  
Soumi Haldar ◽  
Achintya Kumar Dutta
Keyword(s):  
Electron Affinity ◽  
Electron Attachment ◽  
Equation Of Motion ◽  
Cluster Method ◽  
Coupled Cluster ◽  
Coupled Cluster Method ◽  
Large Molecules ◽  
Layer Method ◽  
Speed Up ◽  
Attachment Process

We have presented a multi-layer implementation of the equation of motion coupled-cluster method for the electron affinity, based on local and pair natural orbitals. The method gives consistent accuracy for both localized and delocalized anionic states. It results in many fold speedup in computational timing as compared to the canonical and DLPNO based implementation of the EA-EOM-CCSD method. We have also developed an explicit fragment-based approach which can lead to even higher speed-up with little loss in accuracy. The multi-layer method can be used to treat the environmental effect of both bonded and non-bonded nature on the electron attachment process in large molecules.<br>

Bond-length distributions for ions bonded to oxygen: Results for the lanthanides and actinides and discussion of the f-block contraction

2017 ◽  
Author(s):  
Olivier Charles Gagné
Keyword(s):  
Bond Length ◽  
Coordination Number ◽  
Lanthanide Ions ◽  
Lanthanide Contraction ◽  
Trivalent Lanthanide ◽  
Actinide Ions

Bond-length distributions have been examined for eighty-four configurations of the lanthanide ions and twenty-two configurations of the actinide ions bonded to oxygen. The lanthanide contraction for the trivalent lanthanide ions bonded to O<sup>2-</sup> is shown to vary as a function of coordination number and to diminish in scale with increasing coordination number.

Bond-length distributions for ions bonded to oxygen: Metalloids and post-transition metals

2017 ◽  
Author(s):  
Olivier Charles Gagné ◽  
Frank Christopher Hawthorne
Keyword(s):  
Transition Metal ◽  
Transition Metals ◽  
Metal Ions ◽  
Bond Length ◽  
Lone Pair ◽  
Transition Metal Ions ◽  
Oxygen Lone Pair

Bond-length distributions are examined for thirty-three configurations of the metalloid ions and fifty-six configurations of the post-transition-metal ions bonded to oxygen. Lone-pair stereoactivity is discussed.

Bond-length distributions for ions bonded to oxygen: Metalloids and post-transition metals

2017 ◽  
Author(s):  
Olivier Charles Gagné ◽  
Frank Christopher Hawthorne
Keyword(s):  
Transition Metal ◽  
Transition Metals ◽  
Metal Ions ◽  
Bond Length ◽  
Lone Pair ◽  
Transition Metal Ions ◽  
Oxygen Lone Pair

Bond-length distributions are examined for thirty-three configurations of the metalloid ions and fifty-six configurations of the post-transition-metal ions bonded to oxygen. Lone-pair stereoactivity is discussed.

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