ISSN:
0040-5744
Keywords:
Key words: Mixed valence
;
Electrochromism
;
Stark effect
;
Vibronic coupling
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Summary. A mixed-valence dimer with an applied external field aligned along the internuclear axis is studied using a two-site small-polaron model. Potential energy surfaces are calculated in the adiabatic (Born–Oppenheimer) approximation. It is shown that two nuclear coordinates (one totally symmetric and the other antisymmetric) are coupled to the electronic motion, whereas only the antisymmetric coordinate is coupled in the absence of an electric field. For a strongly localized (valence trapped) system, the displacement along the totally symmetric coordinate is directly proportional to the applied field strength. For delocalized (valence-averaged) systems, there is significant displacement along the antisymmetric coordinate, an effect which also vanishes in the absence of an applied field. Contributions to the linewidth are estimated.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01113540
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