Assessment of Density Functionals for the High-Spin/Low-Spin Energy Difference in the Low-Spin Iron(II) Tris(2,2'-bipyridine) Complex
L.M. Lawson Daku
, A. Vargas,
A. Hauser
, A. Fouqueau and M.E. Casida
ChemPhysChem
,
6
(7) (2005), p1393-1410
Keywords:
density functional calculations
•
iron(II) complexes
•
time-resolved spectroscopy
•
high-spin->low-spin relaxation
•
spin crossover
DOI:
10.1002/cphc.200400584
|
unige:3621
|
Abstract
|
Article HTML
|
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Light-induced spin-crossover and the high-spin -> low-spin relaxation
A. Hauser
in "Topics in Current Chemistry, Spincrossover in Transition Metal Compounds, Vol II" (eds P. Gütlich, H. A. Goodwin), Springer, Berlin,
234
(2004), p155-198
Keywords:
thermal and light-induced spin crossover
•
high-spin->ow-spin relaxation
•
Intersystem crossing
•
external pressure
•
chemical pressure
•
cooperative effects
•
Iron(II) complexes
DOI:
10.1007/b95416
|
unige:3943
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