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A comparison of orbital intractions in the additions of phosphonyl and acyl radicals to double bonds

Date

Authors

Krenske, Elizabeth

Schiesser, Carl

Publisher

Royal Society of Chemistry

Abstract

Calculation of the barriers for addition of the H2P(=O)̇ and HC(=O)̇ radicals to alkenes, at the CCSD(T)/aug-cc-pVDZ//BHandHLYP/6- 311G** level, indicates that both radicals display ambiphilic behaviour. For the HC(=O)̇ radical this behaviour occurs be

Keywords

Keywords: Chemical bonds; Molecular orbitals; Molecular structure; Acyl radicals; Ambiphilic behaviours; Orbital interactions; Hydrogen inorganic compounds; alkene; free radical; phosphonic acid derivative; article; chemical model; chemical structure; chemistry; co

URI

http://hdl.handle.net/1885/52893

Collections

Open Access Research

Source

Organic and Biomolecular Chemistry

Type

Journal article

DOI

10.1039/b714597g

Restricted until

2037-12-31

Downloads

File

Description

01_Krenske_A_comparison_of_orbital_2008.pdf (193.83 KB)