Variational calculations of the ground state structure and the excitation spectrum of 4He clusters doped with an SFs molecule show that, for clusters size larger than approximately 100 atoms, a spherically symmetric configuration with the impurity molecule at the center of the cluster is unstable. T
The Hamiltonian of the induction effect in infrared spectra of SF6 clusters
β Scribed by Shinobu Tanimura; Yoshiki Okada; Kazuo Takeuchi
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 350 KB
- Volume
- 241
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
The Hamiltonian of the induction effect (dipole-induced dipole interaction) in the model proposed by Snels and Reuss is corrected. This model was proposed for the calculation of the frequency shift and transition strength of the IR spectra of clusters of highly symmetric molecules such as (SF,),, (SiF,), and (SiH,),. Disagreement between the observed frequency shifts and the calculated results obtained using this model for (SF,), and (SF,), was found to be caused by the incorrect Hamiltonian of the dipole-induced dipole interaction. The calculated results for (SF,), and (SF,), with the corrected Hamiltonian agree with the observed spectra.
π SIMILAR VOLUMES
The infrared absorption spectrum of SF6 embedded in large liquid He, clusters was studied in the range around 946.3 cm-' using a cw diode laser. A sharp peak ( fwhm < 300 MHz) accompanied by two weaker satellite bands of larger halfwidth ( = 1 GHz) were recorded for different mean He cluster sizes (
The far-infrared of DCI, HCl and HF in liquid SF, (T= 273 K) are studied by applying a previously reported non-Markovian line-by-line spectral theory in which memory and mixing effects arc explicitly considered. We analyze the importance of both effects in terms of the rotational constant of the dia
The fundamental infrared spectra (2700-3100 cm-') of dilure solutions of HCI in liquid SF, at temperatures between 2 18 and 316 K have been calculated by applying a spectral theory based on the decomposition of the rotational motion of the diatomic molecule into two limiting cases: quasi-free rotati