ELFT HÍRADÓ

[VANKO Gyorgy <vanko AT rmki.kfki.hu>]

Tisztelt Kolléga!

Coen de Graaf, a tarragonai Universitat Rovira I Virgili egyetem 
főmunkatársa

"Quantum Chemical study of spin crossover phenomena in Fe(II) complexes"

címmel előadást tart az MTA KFKI RMKI tanácstermében (KFKI III. épület 2.
emelet) június 27-én, hétfőn 10:00-kor.


Az előadás összefoglalója:

Spin crossover can be defined as the process in which a complex changes 
its spin state under the influence of external perturbations such as 
heating or light irradiation. This phenomenon has been observed in many 
quasi-octahedral Fe(II) complexes where the high-spin and low-spin states 
of the 3d6 electronic configuration lie rather close in energy. Although 
there is certainly a lot known about the mechanisms of spin crossover, 
there are some open questions, especially in the area of light-induced 
spin crossover. In this talk, I will describe the results of an ab initio 
study of this effect in the Fe(II)-trisbipyridine complex. The excited 
singlet state is known to decay to the high spin state on an ultrafast 
timescale but the mechanism is not completely clear.  The pros and contras 
of the different scenarios given in the literature for this fast decay 
will be discussed.

Minden érdeklődőt szívesen látunk.

Vankó György.
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 Gyorgy Vanko
 KFKI Research Institute for Particle and Nuclear Physics
 H-1525 Budapest, P.O.B. 49., Hungary
 Phone: +36-1-392-22-22 /ext. 1736
 Fax  : +36-1-395-91-51   http://mffo.rmki.kfki.hu/vanko
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