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Analysis of the “Unusual” Vibrational Components of Triply Degenerate Vibrational Mode ν6 of Mo(CO)6 Based on the Classical Interpretation of the Effective Rotation–Vibration Hamiltonian

✍ Scribed by G. Dhont; D. Sadovskiı́; B. Zhilinskiı́; V. Boudon

Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
402 KB
Volume
201
Category
Article
ISSN
0022-2852

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✦ Synopsis

Rotational structure of the triply degenerate vibrational state 6 (F 1u ) of the octahedral molecule Mo(CO) 6 is analyzed qualitatively on the basis of classical mechanics. We show that the energy level redistribution between the vibrational components of 6 (F 1u ) occurs due to rotational excitation and is related to the formation of singular points of classical rotational energy surfaces. The singularity is stable under small variations of parameters of the effective rovibrational Hamiltonian. Parameters responsible for the persistence of this phenomenon are specified. Comparison with quantum calculations demonstrates the high qualitative and quantitative accuracy of our classical analysis.

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Torsional Splitting in the Degenerate Vibrational States of 70Ge2H6: Rotation–Torsion Analysis of the ν7 and ν9 Fundamentals
✍ F. Lattanzi; C. di Lauro; H. Bürger; E.B. Mkadmi 📂 Article 📅 2000 🏛 Elsevier Science 🌐 English ⚖ 147 KB

The rotational and torsional structure of the 7 and 9 degenerate fundamentals of 70 Ge 2 H 6 has been analyzed under high resolution. The torsional structure of both v 7 ϭ 1 and v 9 ϭ 1 states can be fitted by a simple one-parameter formula. The x,y-Coriolis interaction with the parallel 5 fundament