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
Link To Document :
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