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Q dependence of rotational excitations of CH4 molecules in argon
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| Zeitschriftentitel: | The Journal of Chemical Physics |
|---|---|
| Personen und Körperschaften: | , , , , |
| In: | The Journal of Chemical Physics, 90, 1989, 1, S. 400-405 |
| Format: | E-Article |
| Sprache: | Englisch |
| veröffentlicht: |
AIP Publishing
|
| Schlagwörter: |
| author_facet |
Asmussen, B. Gerlach, P. Press, W. Prager, M. Blank, H. Asmussen, B. Gerlach, P. Press, W. Prager, M. Blank, H. |
|---|---|
| author |
Asmussen, B. Gerlach, P. Press, W. Prager, M. Blank, H. |
| spellingShingle |
Asmussen, B. Gerlach, P. Press, W. Prager, M. Blank, H. The Journal of Chemical Physics Q dependence of rotational excitations of CH4 molecules in argon Physical and Theoretical Chemistry General Physics and Astronomy |
| author_sort |
asmussen, b. |
| spelling |
Asmussen, B. Gerlach, P. Press, W. Prager, M. Blank, H. 0021-9606 1089-7690 AIP Publishing Physical and Theoretical Chemistry General Physics and Astronomy http://dx.doi.org/10.1063/1.456488 <jats:p>Rotational excitations of CH4 molecules, matrix isolated in solid argon, are observed with inelastic neutron scattering (INS). In the argon matrix the orientational crystalline field Vc(Ω) leads to weakly hindered rotation. Experimental data are compared with the predictions of the ‘‘Extended James–Keenan model’’ for solid CH4 II. Deviations from complete orientational disorder are studied via the Q dependence of the scattered intensities. The transition energies for CH4 in Ar differ considerably from the corresponding transition energies in solid CH4 II due to the stronger crystalline field, while the transition matrix elements seem to be rather similar. The parameters β4=7.5 and β6=−25 of the expansion of the crystalline field into octahedral rotor functions are estimated from the experimental data and compared with predictions, based on different empirical potentials between nonbonding atoms.</jats:p> <i>Q</i> dependence of rotational excitations of CH4 molecules in argon The Journal of Chemical Physics |
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AIP Publishing, 1989 |
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AIP Publishing, 1989 |
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1989 |
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The Journal of Chemical Physics |
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| title |
Q dependence of rotational excitations of CH4 molecules in argon |
| title_unstemmed |
Q dependence of rotational excitations of CH4 molecules in argon |
| title_full |
Q dependence of rotational excitations of CH4 molecules in argon |
| title_fullStr |
Q dependence of rotational excitations of CH4 molecules in argon |
| title_full_unstemmed |
Q dependence of rotational excitations of CH4 molecules in argon |
| title_short |
Q dependence of rotational excitations of CH4 molecules in argon |
| title_sort |
<i>q</i> dependence of rotational excitations of ch4 molecules in argon |
| topic |
Physical and Theoretical Chemistry General Physics and Astronomy |
| url |
http://dx.doi.org/10.1063/1.456488 |
| publishDate |
1989 |
| physical |
400-405 |
| description |
<jats:p>Rotational excitations of CH4 molecules, matrix isolated in solid argon, are observed with inelastic neutron scattering (INS). In the argon matrix the orientational crystalline field Vc(Ω) leads to weakly hindered rotation. Experimental data are compared with the predictions of the ‘‘Extended James–Keenan model’’ for solid CH4 II. Deviations from complete orientational disorder are studied via the Q dependence of the scattered intensities. The transition energies for CH4 in Ar differ considerably from the corresponding transition energies in solid CH4 II due to the stronger crystalline field, while the transition matrix elements seem to be rather similar. The parameters β4=7.5 and β6=−25 of the expansion of the crystalline field into octahedral rotor functions are estimated from the experimental data and compared with predictions, based on different empirical potentials between nonbonding atoms.</jats:p> |
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| author | Asmussen, B., Gerlach, P., Press, W., Prager, M., Blank, H. |
| author_facet | Asmussen, B., Gerlach, P., Press, W., Prager, M., Blank, H., Asmussen, B., Gerlach, P., Press, W., Prager, M., Blank, H. |
| author_sort | asmussen, b. |
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| container_title | The Journal of Chemical Physics |
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| description | <jats:p>Rotational excitations of CH4 molecules, matrix isolated in solid argon, are observed with inelastic neutron scattering (INS). In the argon matrix the orientational crystalline field Vc(Ω) leads to weakly hindered rotation. Experimental data are compared with the predictions of the ‘‘Extended James–Keenan model’’ for solid CH4 II. Deviations from complete orientational disorder are studied via the Q dependence of the scattered intensities. The transition energies for CH4 in Ar differ considerably from the corresponding transition energies in solid CH4 II due to the stronger crystalline field, while the transition matrix elements seem to be rather similar. The parameters β4=7.5 and β6=−25 of the expansion of the crystalline field into octahedral rotor functions are estimated from the experimental data and compared with predictions, based on different empirical potentials between nonbonding atoms.</jats:p> |
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| imprint | AIP Publishing, 1989 |
| imprint_str_mv | AIP Publishing, 1989 |
| institution | DE-D275, DE-Bn3, DE-Brt1, DE-D161, DE-Gla1, DE-Zi4, DE-15, DE-Pl11, DE-Rs1, DE-105, DE-14, DE-Ch1, DE-L229 |
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| physical | 400-405 |
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| series | The Journal of Chemical Physics |
| source_id | 49 |
| spelling | Asmussen, B. Gerlach, P. Press, W. Prager, M. Blank, H. 0021-9606 1089-7690 AIP Publishing Physical and Theoretical Chemistry General Physics and Astronomy http://dx.doi.org/10.1063/1.456488 <jats:p>Rotational excitations of CH4 molecules, matrix isolated in solid argon, are observed with inelastic neutron scattering (INS). In the argon matrix the orientational crystalline field Vc(Ω) leads to weakly hindered rotation. Experimental data are compared with the predictions of the ‘‘Extended James–Keenan model’’ for solid CH4 II. Deviations from complete orientational disorder are studied via the Q dependence of the scattered intensities. The transition energies for CH4 in Ar differ considerably from the corresponding transition energies in solid CH4 II due to the stronger crystalline field, while the transition matrix elements seem to be rather similar. The parameters β4=7.5 and β6=−25 of the expansion of the crystalline field into octahedral rotor functions are estimated from the experimental data and compared with predictions, based on different empirical potentials between nonbonding atoms.</jats:p> <i>Q</i> dependence of rotational excitations of CH4 molecules in argon The Journal of Chemical Physics |
| spellingShingle | Asmussen, B., Gerlach, P., Press, W., Prager, M., Blank, H., The Journal of Chemical Physics, Q dependence of rotational excitations of CH4 molecules in argon, Physical and Theoretical Chemistry, General Physics and Astronomy |
| title | Q dependence of rotational excitations of CH4 molecules in argon |
| title_full | Q dependence of rotational excitations of CH4 molecules in argon |
| title_fullStr | Q dependence of rotational excitations of CH4 molecules in argon |
| title_full_unstemmed | Q dependence of rotational excitations of CH4 molecules in argon |
| title_short | Q dependence of rotational excitations of CH4 molecules in argon |
| title_sort | <i>q</i> dependence of rotational excitations of ch4 molecules in argon |
| title_unstemmed | Q dependence of rotational excitations of CH4 molecules in argon |
| topic | Physical and Theoretical Chemistry, General Physics and Astronomy |
| url | http://dx.doi.org/10.1063/1.456488 |