THEORETICAL AB-INITIO CALCULATIONS OF THE ELECTRON-AFFINITY OF THYMINE

Citation
Na. Oyler et L. Adamowicz, THEORETICAL AB-INITIO CALCULATIONS OF THE ELECTRON-AFFINITY OF THYMINE, Chemical physics letters, 219(3-4), 1994, pp. 223-227
Citations number
12
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
219
Issue
3-4
Year of publication
1994
Pages
223 - 227
Database
ISI
SICI code
0009-2614(1994)219:3-4<223:TACOTE>2.0.ZU;2-Z
Abstract
It was determined in ab initio calculations that an electron can attac h to thymine, forming a stable anion. The electron is attached predomi nantly to the positive end of the molecular dipole moment; however, so me contribution from the covalent character is also present. The adiab atic electron affinity for this process is estimated to be only 0.088 eV.