Energy Electronegativity and Chemical Bonding

Abstract

Historical development of the concept of electronegativity (EN) and its significance and prospects for physical and structural chemistry are discussed. The current cutting-edge results are reviewed: new methods of determining the ENs of atoms in solid metals and of bond polarities and effective atomic charges in molecules and crystals. The ENs of nanosized elements are calculated for the first time, enabling us to understand their unusual reactivity, particularly the fixation of N2 by nanodiamond. Bond polarities in fluorides are also determined for the first time, taking into account the peculiarities of the fluorine atom’s electronic structure and its electron affinity.

Bandgap reduction and efficiency enhancement in Cs2AgBiBr6 double perovskite solar cells through gallium substitution

“…Optical electronegativity provides valuable insights into nature of chemical bonding. 64,65 Optical electronegativity not only offers profound insights into the essence of chemical bonding, but shedding light on the intricate connections that govern molecular structures as well. 66 On the Pauling scale, when the electronegativity difference is below 0.5, it commonly leads to a non-polar covalent bond.…”

Quantifying Atomic Volume, Partial Charge, and Electronegativity in Condensed Phases

“…The quantification of concepts such as electronegativity, size, and the disposition of electrons inside materials is fraught by difficult choices of how to do so. − However, quantify them we wish because they are often helpful for rationalizing aspects of observable chemistry. Challenges arise because there exists no one unique definition to either property but a plethora of methods, scales, and principles.…”

Rh(III)-Catalyzed N-Amino-Directed C-H Coupling with 3-Methyleneoxetan-2-Ones for 1,2-Dihydroquinoline-3-Carboxylic Acid Synthesis

“…[4][5][6][7][8] Thus far, polarity analysis is executed primarily in the realm of conventional organic chemistry and in the form of static polarity analysis, assignment of electronic character exclusively based on the electronegativity (with resonance effect included) of each site (static polarity: regular polarity and umpolung polarity inversion) and associated complementarity. [9][10][11][12][13] This mechanistic framework of reactivity deduction, despite its tremendous synthetic utility, contributes to the derivation of only a rather limited portion of reactivity patterns observed in organic reactions. An alternative mode of reactivity deduction, dynamic polarity analysis, might allow the revelation of a massive pool of otherwise hidden reactivity patterns.…”