کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9575704 | 1504351 | 2005 | 11 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Free NH3 quantum rotations in Hofmann clathrates: structure factors and line widths studied by inelastic neutron scattering
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Free NH3 quantum rotations in Hofmann clathrates: structure factors and line widths studied by inelastic neutron scattering Free NH3 quantum rotations in Hofmann clathrates: structure factors and line widths studied by inelastic neutron scattering](/preview/png/9575704.png)
چکیده انگلیسی
Quantum rotations of NH3 groups in Hofmann clathrates Ni-Ni-C6H6 and Ni-Ni-C12H10 have been studied using inelastic neutron scattering. Calculations of the dynamical structure factor for a free uniaxial quantum rotor reproduce the neutron scattering data with respect to their Q- and T-dependence as well as the relative intensities for the 0 â 1, 0 â 2 and 1 â 2 transitions. Though the effective NH3 rotation constant is different from the gas phase value, the effective radius of rotation (i.e., the average distance of protons from the rotation axis) is equal or very close to the geometrical value r = 0.94 Ã
for a NH3 group. Comparing the experimental data with the calculated dynamical structure factor for the 0 â 3 transition it could be shown, that the corresponding transition line, in contrast to transitions between j = 0,1,2 levels measured so far, has a finite width at T = 0 K.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 308, Issues 1â2, 10 January 2005, Pages 147-157
Journal: Chemical Physics - Volume 308, Issues 1â2, 10 January 2005, Pages 147-157
نویسندگان
O. Sobolev, P. Vorderwisch, A. Desmedt,