Jahn-Teller effects in molecular cations studied by photoelectron spectroscopy and group theory.
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Citations
Pseudo-Jahn-teller effect--a two-state paradigm in formation, deformation, and transformation of molecular systems and solids.
Excited state aromaticity and antiaromaticity: opportunities for photophysical and photochemical rationalizations.
Fundamental Symmetries and Symmetry Violations from High Resolution Spectroscopy
Triplet State Aromaticity: NICS Criterion, Hyperconjugation, and Charge Effects.
Free Boroles: The Effect of Antiaromaticity on Their Physical Properties and Chemical Reactivity
References
Integer Quantization of the Pseudorotational Motion in Na 3 B
Orbital Degeneracy and the Electron Spin Resonance Spectrum of the Benzene-1-d Negative Ion
High resolution laser spectroscopy of asymmetrically deuterated cyclopentadienyl radicals: A study of vibronic degeneracy resolution and Jahn–Teller distortion
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Stability of Polyatomic Molecules in Degenerate Electronic States. I. Orbital Degeneracy
Frequently Asked Questions (13)
Q2. What are the contributions in this paper?
In this paper, the authors present a review of the recent advances in the investigation of the Jahn-Teller ( JT ) effect in high-resolution optical and photoelectron spectroscopy.
Q3. How can the ionizing transitions be detected?
the photoionizing transitions to specific cationic states can be detected with almost 100 % efficiency by measuring electrons.
Q4. What is the motion connecting equivalent minima of a given set of six structures?
The motion connecting equivalent minima of a given set of six structures corresponds to a cyclic permutation of three hydrogen atoms also known as pseudorotation.
Q5. How is the tunneling splitting in CH4 expected to be?
In the ground state of CH4, the tunneling splitting resulting from this motion is expected to be very small because of the very high barrier (≥ 35000 cm−1) for stereomutation [72].
Q6. What is the symmetry of the distorted structure?
Since the molecule is rigid and in its ground vibrational state, it must be classified in the point group of the distorted structure and the vibronic symmetry is the same as its electronic symmetry.
Q7. What can be used to treat non-Jahn-Teller fluxional systems?
They can also be applied to rovibronic states, are useful in the construction of correlation diagrams [41, 61] and may be used to treat non-Jahn-Teller fluxional systems.
Q8. What are the main aspects of the JT effect in highly symmetric molecules?
This review concentrated on two fundamental cations, the methane cation and the cyclopentadienyl cation, which are representative examples of the diversity of spectral, structural and dynamical manifestations of the JT effect in highly symmetric molecules.
Q9. What is the rovibronic symmetries of the methane?
The first technique, that the authors call ”ZEKE-dip” spectroscopy (by analogy with ion-dip spectroscopy [46]) was applied to assign the rovibronic symmetries of the levels of the methane cation.
Q10. How is the maximum of the reaction path similar to the one described in Ref.?
The maximum of the reaction path corresponds to a structure of Cs geometry that is very26similar to the one described in Ref. [35].
Q11. What can be done to reduce the symmetry of the electronic potential energy surfaces?
They allow one to reduce the permutational symmetry and remove the energetic equivalence of potential energy minima without affecting the nature of the electronic potential energy surfaces.
Q12. What are the important parameters to describe the JT effect in a molecule?
These data are essential parameters to describe the JT effect in a molecule, but are in general insufficient to predict the coupled nuclear and electronic dynamics and the rovibronic energy level structure of a molecule.
Q13. What is the number of equiv-11alent structures of a given symmetry?
The number of equiv-11alent structures of a given symmetry is determined by the ratio of the orders of the CNPI group of the molecule and the point group of the structure.