Title of article
Do nonmetallic superalkali cations exist?
Author/Authors
Hou، نويسنده , , Na and Li، نويسنده , , Ying and Wu، نويسنده , , Di and Li، نويسنده , , Zhi-Ru، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2013
Pages
4
From page
32
To page
35
Abstract
In order to explore the possibility of using hydrogen atoms as ligands in creating superalkalies, a systematic investigation on the F 2 H 3 + , O 2 H 5 + , N 2 H 7 + and C 2 H 9 + cations has been carried out. These nonmetallic cations have pretty low electron affinities (EA) of 3.55–4.48 eV at the OVGF/6-311++G(3df, 3pd) level, and hence should be classified as superalkali cations. It is also worth mentioning that the weakly bound N 2 H 7 + and C 2 H 9 + cations exhibit even lower EA values than the ionization potential of Cs atom. In addition, the positive fragmentation energies indicate the stabilities of these cation species with respect to dissociation.
Journal title
Chemical Physics Letters
Serial Year
2013
Journal title
Chemical Physics Letters
Record number
1935012
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