Electronegativity: A continuing enigma

被引：5

作者：

Politzer, Peter ^{[1
]}

Murray, Jane S. ^{[1
]}

机构：

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

来源：

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY | 2023年 / 36卷 / 12期

关键词：

average valence electron ionization energies of atoms; chemical potential; electronegativity; DENSITY-FUNCTIONAL THEORY; FRACTIONAL PARTICLE NUMBER; DERIVATIVE DISCONTINUITIES; CONFIGURATION ENERGIES; DEPENDENCE; CHEMISTRY; ELECTRONS; HARDNESS; VALUES; SCALE;

D O I：

10.1002/poc.4406

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

There continues to be confusion concerning the concept of electronegativity. Pauling's original approach, focusing upon an atom in a molecule, continues to be widely invoked. There has also been a more recent tendency to view electronegativity as the negative of the chemical potential and to extend it to molecules. However, this leads to results that are incompatible with chemical experience. A more effective approach, which gives results in overall agreement with Pauling's values, is to relate electronegativity to the average valence electron ionization energies of atoms.

引用

页数：6

共 62 条

[1] Interpolation of property-values between electron numbers is inconsistent with ensemble averaging
Alain Miranda-Quintana, Ramon
Ayers, Paul W.
[J]. JOURNAL OF CHEMICAL PHYSICS, 2016, 144 (24)
[2] ELECTRONEGATIVITY IS THE AVERAGE ONE-ELECTRON ENERGY OF THE VALENCE-SHELL ELECTRONS IN GROUND-STATE FREE ATOMS
ALLEN, LC
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1989, 111 (25) : 9003 - 9014
[3] ELECTRONEGATIVITY SCALES
ALLEN, LC
[J]. ACCOUNTS OF CHEMICAL RESEARCH, 1990, 23 (06) : 175 - 176
[4] CHEMISTRY AND ELECTRONEGATIVITY
ALLEN, LC
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1994, 49 (03) : 253 - 277
[5] ELECTRONEGATIVITY VALUES FROM THERMOCHEMICAL DATA
ALLRED, AL
[J]. JOURNAL OF INORGANIC & NUCLEAR CHEMISTRY, 1961, 17 (3-4): : 215 - 221
[6] Anslyn E. V., 2006, In Modern Physical Organic Chemistry
[7] The dependence on and continuity of the energy and other molecular properties with respect to the number of electrons
Ayers, Paul W.
[J]. JOURNAL OF MATHEMATICAL CHEMISTRY, 2008, 43 (01) : 285 - 303
[8] On the electronegativity nonlocality paradox
Ayers, Paul W.
[J]. THEORETICAL CHEMISTRY ACCOUNTS, 2007, 118 (02) : 371 - 381
[9] Elucidating the hard/soft acid/base principle: A perspective based on half-reactions
Ayers, Paul W.
Parr, Robert G.
Pearson, Ralph G.
[J]. JOURNAL OF CHEMICAL PHYSICS, 2006, 124 (19)
[10] Electronegativity and molecular properties
Bergmann, D
Hinze, J
[J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 1996, 35 (02) : 150 - 163

← 1 2 3 4 5 6 7 →