The Chemical bond: v.2: Chemical bonding across the periodic table

2015 ◽  
Vol 52 (09) ◽  
pp. 52-4773a-52-4773a
Keyword(s):  
Chemical Bond ◽  
Chemical Bonding ◽  
Periodic Table

Chemical bonding analysis of excited states using the adaptive natural density partitioning method

2019 ◽  
Vol 21 (18) ◽  
pp. 9590-9596 ◽  
Author(s):  
Nikolay V. Tkachenko ◽  
Alexander I. Boldyrev
Keyword(s):  
Chemical Bond ◽  
Excited States ◽  
Chemical Bonding ◽  
Bonding Analysis ◽  
Novel Approach ◽  
Natural Density ◽  
Adaptive Natural Density Partitioning

A novel approach to chemical bond analysis for excited states has been developed.

High Pressure and Chemical Bonding in Materials Chemistry

2006 ◽  
Vol 61 (7) ◽  
pp. 799-807 ◽  
Author(s):  
Gérard Demazeau
Keyword(s):  
High Pressure ◽  
Chemical Bond ◽  
Chemical Bonding ◽  
High Pressures ◽  
Chemical Properties ◽  
General Rule ◽  
Research Area ◽  
Chemical Compositions ◽  
Materials Chemistry ◽  
Novel Materials

Materials chemistry under high pressures is an important research area opening new routes for stabilizing novel materials or original structures with different compositions (oxides, oxoborates, nitrides, nitridophosphates, sulfides,. . .).Due to the varieties of chemical compositions and structures involved, high pressure technology is also an important tool for improving the investigations on chemical bonding and consequently the induced physico-chemical properties.Two different approaches can be described: (i) the chemical bond is pre-existing and in such a case, high pressures lead to structural transformations, (ii) the chemical bond does not exist and high pressures are able to help the synthesis of novel materials. In both cases the condensation effect (ΔV < 0 between precursors and the final product) is the general rule. In addition, through the improvement of the reactivity, high pressures can lead to materials that are not reachable through other chemical routes.

THE CHEMICAL BOND IN SEMICONDUCTORS: THE GROUP V B TO VII B ELEMENTS AND COMPOUNDS FORMED BETWEEN THEM

1956 ◽  
Vol 34 (12A) ◽  
pp. 1369-1376 ◽  
Author(s):  
E. Mooser ◽  
W. B. Pearson
Keyword(s):  
Optical Properties ◽  
Chemical Bond ◽  
Chemical Bonding ◽  
Valence Bond ◽  
Electrical And Optical Properties ◽  
Group V ◽  
New Model ◽  
Bond Model

A brief review is first given of the developments which led to an understanding of the important role played by chemical bonding in semiconductors. The properties of the Group V B to VII B elements and of some compounds formed between these elements are then considered according to the valence bond model of Pauling. This leads to the conclusion that the band scheme in these substances is somewhat different to that which has been generally accepted, and we discuss the new model in relation to their electrical and optical properties.

POTENTIAL UNUSUAL CHEMICAL BONDING IN MIXED METAL STRUCTURES OF THE 3d TRANSITION SERIES CONTAINING THE ELEMENT Ni

2007 ◽  
Vol 06 (01) ◽  
pp. 165-175
Author(s):  
MICHAEL J. BUCKNUM ◽  
EDUARDO A. CASTRO
Keyword(s):  
Transition Metal ◽  
Chemical Bonding ◽  
Periodic Table ◽  
Three Dimensional ◽  
Metal Structures ◽  
Atomic Orbitals ◽  
Mixed Metal ◽  
Transition Series ◽  
Cscl Structure ◽  
Made In

A heuristic proposal is made in this communication that involves potentially unusual chemical bonding between the 3d transition series element Ni and the 3d transition series metals preceding it in the Periodic Table. The bonding in such mixed metal dimers, and their potential realizations as some simple three-dimensional (3D) extended structures in a one-to-one stoichiometry, as sphaelerite, rocksalt or CsCl structure-types, is proposed to include two principal components that involve either covalent or ionic contributions. Ordinary covalent contributions from a σ bond (or band) formed from overlap of singly occupied 4s atomic orbitals on each metal center are proposed to be operative in these molecules (or their extended realizations). However, in addition to this 4s–4s σ bond (band), an unprecedented transfer of a d electron from the incomplete, open 3d9 subshell of the transition metal involved in the bonding that precedes Ni in the Periodic Table, into the 3d9 subshell on the Ni center, which results in completion of this 3d subshell in Ni , is here implicated as a further driving force for the formation of these species. The resulting molecular and extended structures MNi , where M is a 3d transition metal preceding Ni in the Periodic Table (i.e. M = Sc , Ti , V , Cr , Mn , Fe and Co ), are therefore proposed to be bonded together by a combination of covalent and ionic forces, such that the Ni center acts as an anion of charge 1-, a so-called nickelide anion Ni -, while its counterpart is a univalent cation M +. This proposal is consistent with commonly employed electronegativity scales of chemical bonding, and with considerations of the relative orbital energies of the 3d subshells of the elements across the 3d transition series period, as well as with known trends in covalent and ionic bonding in the Periodic Table of the elements. It is also found to be in agreement with the spin multiplicities calculated in the nickel dimers MNi ( M = Sc , Ti , V , Cr , Mn , Fe and Co ) if Hund's rule is assumed to be operative.

scholarly journals Chemical Bonding by the Chemical Orthogonal Space of Reactivity

2020 ◽  
Vol 22 (1) ◽  
pp. 223
Author(s):  
Mihai V. Putz
Keyword(s):  
Chemical Bond ◽  
Chemical Bonding ◽  
Important Case ◽  
Chemical Hardness ◽  
Numerical Illustration ◽  
Analytical Expression ◽  
Orthogonal Space ◽  
Open Questions ◽  
Present Formalism ◽  
Homo Lumo

The fashionable Parr–Pearson (PP) atoms-in-molecule/bonding (AIM/AIB) approach for determining the exchanged charge necessary for acquiring an equalized electronegativity within a chemical bond is refined and generalized here by introducing the concepts of chemical power within the chemical orthogonal space (COS) in terms of electronegativity and chemical hardness. Electronegativity and chemical hardness are conceptually orthogonal, since there are opposite tendencies in bonding, i.e., reactivity vs. stability or the HOMO-LUMO middy level vs. the HOMO-LUMO interval (gap). Thus, atoms-in-molecule/bond electronegativity and chemical hardness are provided for in orthogonal space (COS), along with a generalized analytical expression of the exchanged electrons in bonding. Moreover, the present formalism surpasses the earlier Parr–Pearson limitation to the context of hetero-bonding molecules so as to also include the important case of covalent homo-bonding. The connections of the present COS analysis with PP formalism is analytically revealed, while a numerical illustration regarding the patterning and fragmentation of chemical benchmarking bondings is also presented and fundamental open questions are critically discussed.

Early work on chemical bonding in relation to solid state physics

1981 ◽  
Vol 378 (1773) ◽  
pp. 207-218 ◽  
Keyword(s):  
State Physics ◽  
Solid State ◽  
Chemical Bond ◽  
Chemical Bonding ◽  
Royal Society ◽  
Limited Extent ◽  
Solid State Physics

A symposium on the beginnings of solid state physics, organized by Sir Nevill Mott, F. R. S., was held by the Royal Society from 30 April to 2 May 1979, and 26 papers contributed to this symposium were published in Proc. R. Soc. Lond . A 371, 1-177 (1980). One aspect of solid state physics, that dealing with the nature of the chemical bond in solids, was presented to only a quite limited extent. The present paper, which emphasizes my own early work in this field, has been written to supplement the symposium papers.

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