Skip navigation
Skip navigation

Electronic effects and ring strain influences on the electron uptake by selenium-containing bonds

Dumont, Elise; Loos, Pierre-Francois; Laurent, Adele D; Assfeld, Xavier

Description

The gas-phase electron attachment of thiaselena and diselena derivatives is investigated on model organic systems by ab initio calculations (level of theory MP2/DZP++). Electronic contributions favor the one-electron addition on selenium-containing compounds, with adiabatic electron affinities of 0.03, 0.24, and 0.43 eV, respectively, for dimethyldisulfide, dimethylselenenylsulfide, and dimethyldiselenide. This ensures the possibility of an excess electron, binding on - Se - S - and - Se - Se -...[Show more]

CollectionsANU Research Publications
Date published: 2010
Type: Journal article
URI: http://hdl.handle.net/1885/61843
Source: International Journal of Quantum Chemistry
DOI: 10.1002/qua.22072

Download

File Description SizeFormat Image
01_Dumont_Electronic_effects_and_ring_2010.pdf250.11 kBAdobe PDF    Request a copy


Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.

Updated:  12 November 2018/ Responsible Officer:  University Librarian/ Page Contact:  Library Systems & Web Coordinator