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2001 | 99 | 2 | 215-232
Article title

Ligand-Framework Coupling Vibrations. The ^2E_g → ^4A_{2g} Transition in the Cr(CN)_6^{3-} Complex Ion

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EN
Abstracts
EN
In this research paper we examine the role played by the bending vibrational modes of motion, δ(Cr-C-N) to influence the observed overall and relative vibronic intensity distribution for the ^2E_g → ^4A_{2g} phosphorescence of the Cr(CN)_6^{3-} complex ion. The calculation was carried out assuming both: (a) a seven-atom system model (molecular approximation) and (b) a negligible distortion from the octahedral symmetry for the system. The ligand polarization formalism was employed with reference to this system, since the ligand subsystems (CN)^{-1} are highly polarizable and as a consequence a conventional crystal field calculation would be both unrealistic and unappropriate. This system was chosen since there is a solid evidence to conclude that vibrations of the same type in the τ_{1u} and τ_{2u} symmetry blocks induce comparable intensity. This is a clear indication that both the τ_{1u} and τ_{2u}: δ(Cr-C-N) bending vibrations are exceptionally efficient to promote this radiative transition. This dynamical model is tested against the experimental data and it is shown that the model calculation, though approximate, gives results in excellent agreement with experiment.
Keywords
EN
Publisher

Year
Volume
99
Issue
2
Pages
215-232
Physical description
Dates
published
2001-02
received
2000-04-20
(unknown)
2000-12-27
Contributors
author
  • Facultad de Ciencias Físicas y Matemáticas, Universidad de Chile, Beaucheff 850, Casilla 2777, Santiago, Chile
author
  • Laser Laboratory, School of Biology and Chemical Sciences, Birkbeck College, University of London, Gordon House, 29, Gordon Square, London, WC1H-0PP, UK
author
  • Comisión Chilena de Energía Nuclear, Amunátegui 95, Casilla 188-D, Santiago, Chile
References
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Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv99n201kz
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