JChemEd.chem.wisc.edu • Vol. 80 No. 3 March 2003 • Journal of Chemical Education 279 Part I of this series traced the origins of the electronegativity concept in the writings of Amedeo Avogadro and Jöns Jacob Berzelius in the period 1809–1813 (1). Avogadro’s approach—based on the concepts of acidity and alkalinity as generalized relative properties, the use of contact or Volta potentials as a m...

Changes in the electronic transition energies and redox potentials because of metal substitution in bacteriochlorophyll a justify the recently suggested correlation between electronegativity øM, covalent radius, and an effective charge, QM, at the metal atom center. A simple electrostatic theory in which QM modifies the energies of the frontier molecular orbitals by Coulombic interactions with ...

We study the role of electronegativity in sliding friction for five different two-dimensional (2D) monolayer systems using ab initio calculations within density functional theory with van der Waals corrections. show that depends strongly on involved atoms' difference. All studied exhibit almost same magnitude force when along nonpolar path, independent material and surface structures. In contra...

The concepts of absolute electronegativity, chi, and absolute hardness, eta, are incorporated into molecular orbital theory. A graphic and concise definition of hardness is given as twice the energy gap between the highest occupied molecular orbital and the lowest unoccupied molecular orbital. Useful correlations can now be made between chemical behavior, visible-UV absorption spectra, optical ...

Incomplete coverages of p-fluorothiophenol, p-chlorothiophenol, and p-bromothiophenol form ordered islands on a Cu(111) surface even at low temperatures. The complexity of the molecular patterns increases from a simple (3 x 4) superlattice to a honeycomb (8 x 8)R19 degrees structure with increasing substituent electronegativity. We propose a model based on quadrupolar intermolecular interaction...

Four new perhalophenylgold( i )–diphosphino complexes have been described as TADF emitters. The position and the electronegativity of halogen atoms in aromatic ring allow tuning photophysical properties.