Literature DB >> 30499303

Electronegativity Seen as the Ground-State Average Valence Electron Binding Energy.

Martin Rahm1, Tao Zeng2, Roald Hoffmann3.   

Abstract

We introduce a new electronegativity scale for atoms, based consistently on ground-state energies of valence electrons. The scale is closely related to (yet different from) L. C. Allen's, which is based on configuration energies. Using a combination of literature experimental values for ground-state energies and ab initio-calculated energies where experimental data are missing, we are able to provide electronegativities for elements 1-96. The values are slightly smaller than Allen's original scale, but correlate well with Allen's and others. Outliers in agreement with other scales are oxygen and fluorine, now somewhat less electronegative, but in better agreement with their chemistry with the noble gas elements. Group 11 and 12 electronegativities emerge as high, although Au less so than in other scales. Our scale also gives relatively high electronegativities for Mn, Co, Ni, Zn, Tc, Cd, Hg (affected by choice of valence state), and Gd. The new electronegativities provide hints for new alloy/compound design, and a framework is in place to analyze those energy changes in reactions in which electronegativity changes may not be controlling.

Entities:  

Year:  2018        PMID: 30499303     DOI: 10.1021/jacs.8b10246

Source DB:  PubMed          Journal:  J Am Chem Soc        ISSN: 0002-7863            Impact factor:   15.419


  8 in total

1.  Evidence for a Solid-Electrolyte Inductive Effect in the Superionic Conductor Li10Ge1-xSnxP2S12.

Authors:  Sean P Culver; Alexander G Squires; Nicolò Minafra; Callum W F Armstrong; Thorben Krauskopf; Felix Böcher; Cheng Li; Benjamin J Morgan; Wolfgang G Zeier
Journal:  J Am Chem Soc       Date:  2020-12-07       Impact factor: 15.419

2.  In-Situ Electronegativity and the Bridging of Chemical Bonding Concepts.

Authors:  Stefano Racioppi; Martin Rahm
Journal:  Chemistry       Date:  2021-11-12       Impact factor: 5.020

3.  Evaluation of Electronegativity Scales.

Authors:  Gordon D Sproul
Journal:  ACS Omega       Date:  2020-05-12

4.  Metal Bonding with 3d and 6d Orbitals: An EPR and ENDOR Spectroscopic Investigation of Ti3+-Al and Th3+-Al Heterobimetallic Complexes.

Authors:  Guodong Rao; Alison B Altman; Alexandra C Brown; Lizhi Tao; Troy A Stich; John Arnold; R David Britt
Journal:  Inorg Chem       Date:  2019-06-02       Impact factor: 5.165

5.  Silyl Anion Initiated Hydroboration of Aldehydes and Ketones.

Authors:  Martin W Stanford; Alessandro Bismuto; Michael J Cowley
Journal:  Chemistry       Date:  2020-07-02       Impact factor: 5.236

6.  Experimental Quantum Chemistry: A Hammett-inspired Fingerprinting of Substituent Effects.

Authors:  Francesco Sessa; Martina Olsson; Fredrik Söderberg; Fang Wang; Martin Rahm
Journal:  Chemphyschem       Date:  2021-02-22       Impact factor: 3.102

7.  TM4B18 0/- (TM = Hf, Ta, W, Re, Os): new structure construction with TM doped B wheel units.

Authors:  Zhen Wang; Qiuying Du; Sung Jin Park
Journal:  RSC Adv       Date:  2021-05-24       Impact factor: 4.036

8.  Electronegativity Equilibration.

Authors:  Francesco Sessa; Martin Rahm
Journal:  J Phys Chem A       Date:  2022-08-08       Impact factor: 2.944

  8 in total

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