Switching radical stability by pH- induced orbital conversion

Date

2013

Authors

Gryn'ova, Ganna
Marshall, David L
Blanksby, Stephen James
Coote, Michelle

Journal Title

Journal ISSN

Volume Title

Publisher

Nature Publishing Group

Abstract

In most radicals the singly occupied molecular orbital (SOMO) is the highest-energy occupied molecular orbital (HOMO); however, in a small number of reported compounds this is not the case. In the present work we expand significantly the scope of this phe

Description

Keywords

Keywords: free radical; organic compound; proton; article; chemical structure; chemistry; conformation; industry; pH; thermodynamics; Free Radicals; Hydrogen-Ion Concentration; Industry; Models, Molecular; Molecular Conformation; Organic Chemicals; Protons; Thermod

Citation

Source

Nature Chemistry

Type

Journal article

Book Title

Entity type

Access Statement

License Rights

DOI

10.1038/nchem.1625

Restricted until

2037-12-31