Simple electronegativity-based model for predicting formation of stable compounds across the periodic table

Since Linus Pauling developed the concept of electronegativity, various heuristic models have been developed to estimate the capability of chemical elements to form stable compounds. All these models including well-known Miedema's models were believed to be applicable to particular classes of compounds and to require substantial increase of complexity to be applied more generally. Here we demonstrate that basic chemical trends in stability of all possible binary systems are well described by a simple chemical model where each element is characterized by just two numbers - electronegativity X and chemical mismatch parameter Y. These parameters were determined for the elements from a large number of theoretical enthalpies of formation, and were found to display strong periodicity and to correlate with Pauling's electronegativity and valence electron density. The proposed two-parameter chemical model explains a number of anomalies found in chemical behavior of elements. In particular, it shows why active electropositive alkali and alkaline earth metals do not react with most elements, in contrast to inert noble metals (which do form stable binary compounds with most elements).

Authors

Institutions

Publication Details

Journal
Nature Communications
Published
2025-12-20
DOI
https://doi.org/10.1038/s41467-025-67658-9
Primary Topic
History and advancements in chemistry
Type
article
Field-Weighted Citation Impact
0.00

Funders

Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

Simple electronegativity-based model for predicting formation of stable compounds across the periodic table

Артем Ромаевич Оганов, Maksim G. Kostenko
Nature Communications
History and advancements in chemistry
article

Simple electronegativity-based model for predicting formation of stable compounds across the periodic table

Артем Ромаевич Оганов, Maksim G. Kostenko
article en

Abstract

Since Linus Pauling developed the concept of electronegativity, various heuristic models have been developed to estimate the capability of chemical elements to form stable compounds. All these models including well-known Miedema's models were believed to be applicable to particular classes of compounds and to require substantial increase of complexity to be applied more generally. Here we demonstrate that basic chemical trends in stability of all possible binary systems are well described by a simple chemical model where each element is characterized by just two numbers - electronegativity X and chemical mismatch parameter Y. These parameters were determined for the elements from a large number of theoretical enthalpies of formation, and were found to display strong periodicity and to correlate with Pauling's electronegativity and valence electron density. The proposed two-parameter chemical model explains a number of anomalies found in chemical behavior of elements. In particular, it shows why active electropositive alkali and alkaline earth metals do not react with most elements, in contrast to inert noble metals (which do form stable binary compounds with most elements).

Nature CommunicationsVol. 17(1)
Skolkovo Institute of Science and Technology (RU)
Russian Science Foundation
Openalex Percentile: Top 64%
History and advancements in chemistry
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.