Title of article :
The existence and stability of the anions matching the formula (M = Li, Na, K, Be, Mg, Ca, B, Al, Ga)
Author/Authors :
Marchaj، نويسنده , , Marzena and Freza، نويسنده , , Sylwia and Skurski، نويسنده , , Piotr، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2013
Pages :
7
From page :
15
To page :
21
Abstract :
The electronic stabilities of the MF k + 2 - anions (where M = Li, Na, K, Be, Mg, Ca, B, Al, Ga; and k is the maximal formal valence of atom M) were investigated at the OVGF/6-311 + G(3df) level. The vertical electron detachment energies (VDE) of the anions examined were found to be large (7.1–10.1 eV) albeit not significantly exceeding those for the corresponding MF k + 1 - superhalogen anions. Even though all the MF k + 2 - species studied were predicted to be both geometrically and electronically stable, some of them turned out to be thermodynamically unstable (i.e., susceptible to the F atom loss).
Journal title :
Chemical Physics Letters
Serial Year :
2013
Journal title :
Chemical Physics Letters
Record number :
1934456
Link To Document :
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