Electronegativity and average local ionization energy

被引：19

作者：

Politzer, P ^{[1
]}

Murray, JS ^{[1
]}

Grice, ME ^{[1
]}

机构：

[1] Univ New Orleans, Dept Chem, New Orleans, LA 70148 USA

来源：

COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS | 2005年 / 70卷 / 05期

关键词：

electron affinity; ionization potential; valence electrons; configuration energy; atomic surfaces; electronegativity;

D O I：

10.1135/cccc20050550

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A variation of an earlier formulation of electronegativity by Allen, as the average valence electron ionization energy of a ground-state atom, is proposed. It is shown that the calculated average local ionization energies on the 0.001 a.u. electronic density contours of atoms correlate very well with Allen's values. Our procedure makes it unnecessary to enumerate valence electrons, which can be a problem due to interpenetration of shells.

引用

页码：550 / 558

页数：9

共 50 条

[1] Average local ionization energy: A review
Peter Politzer
Jane S. Murray
Felipe A. Bulat
Journal of Molecular Modeling, 2010, 16 : 1731 - 1742
[2] Average local ionization energy: A review
Politzer, Peter
Murray, Jane S.
Bulat, Felipe A.
JOURNAL OF MOLECULAR MODELING, 2010, 16 (11) : 1731 - 1742
[3] Average local ionization potential within the framework of the electron localization function
Chamorro, Eduardo
Perez, Patricia
Duque-Norena, Mario
Paul Romagnoli, Pierre
Pons, Daniel
Gonzalez, Mauricio
INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY, 2014, 53 (8-9): : 958 - 964
[4] Physicochemical parameters of oxyfluoride glasses using the average electronegativity
School of Petrochemical Engineering, Shenyang University of Technology, Liaoyang 111003, China
Phys. Chem. Glasses Euro. J. Glass Sci. Technol. Part B, 2009, 5 (332-334): : 332 - 334
[5] Correlation of some opto-electrical properties of Se-Te-Sn glassy semiconductors with the average single bond energy and the average electronegativity
Lafi, Omar A.
JOURNAL OF ALLOYS AND COMPOUNDS, 2016, 660 : 503 - 508
[6] Energy Electronegativity and Chemical Bonding
Batsanov, Stepan S.
MOLECULES, 2022, 27 (23):
[7] Average Local Ionization Energies in the Hartree-Fock and Kohn-Sham Theories
Bulat, Felipe A.
Levy, Mel
Politzer, Peter
JOURNAL OF PHYSICAL CHEMISTRY A, 2009, 113 (07) : 1384 - 1389
[8] Average electronegativity, medium-range-order, and ionic conductivity in superionic glasses
Aniya, M
SOLID STATE IONICS, 2000, 136 : 1085 - 1089
[9] A novel electronegativity χCL for elements and orbitals based on average attracting energy of valence-shell electrons in ground-state free atoms
Cao, CZ
Li, ZL
Allen, LC
CHINESE JOURNAL OF INORGANIC CHEMISTRY, 1999, 15 (02) : 218 - 224
[10] A new approach to the relationship between bond energy and electronegativity
Smith, Derek W.
POLYHEDRON, 2007, 26 (02) : 519 - 523

← 1 2 3 4 5 →