Title of article :
Is there a Co–Co bond path in Co2(CO)6(μ-CO)(μ-C4H2O2)?
Author/Authors :
Farrugia، نويسنده , , Louis J.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2005
Pages :
5
From page :
122
To page :
126
Abstract :
The presence of a Co–Co bond path and associated bond critical point in the density ρ(r) for the compound Co2(CO)6(μ-CO)(μ-C4H2O2) (2) has been investigated by quantum calculations on the isolated molecule at the DFT/B3LYP level, by a periodic DFT calculation on the triclinic phase of 2 and also by multipole refinement on the experimental data for the triclinic phase. In all models examined, a ring critical point is the only critical point associated with the Co–Co vector.
Journal title :
Chemical Physics Letters
Serial Year :
2005
Journal title :
Chemical Physics Letters
Record number :
1916459
Link To Document :
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