کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1409771 | 1501833 | 2010 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Rotational spectrum of five isotopologues of cyclopropylmethylgermane: Ab initio calculations, barrier to internal rotation and nuclear quadrupole coupling constants for the 73Ge nucleus
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Rotational spectra have been measured for five naturally occurring isotopologues of germanium in the gauche conformer of the cyclopropylmethylgermane molecule by Fourier-transform microwave spectroscopy. Internal rotation of the methyl group caused all rotational transitions to be doubled and analysis of these A and E states with an internal rotation Hamiltonian furnished a barrier to rotation of approximately 4.7Â kJÂ molâ1 for each isotopic species. In addition, the quadrupolar nature of the IÂ =Â 9/2 73Ge nucleus caused nuclear quadrupole hyperfine structure to be observed for all transitions belonging to this isotopologue, allowing a determination of nuclear quadrupole coupling constants for the 73Ge nucleus. Dipole moment components have also been measured via the Stark effect. Ab initio results will be presented and compared with experimental rotational constants, dipole moment components and electric field gradients at the Ge nucleus.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 981, Issues 1â3, 24 September 2010, Pages 54-58
Journal: Journal of Molecular Structure - Volume 981, Issues 1â3, 24 September 2010, Pages 54-58
نویسندگان
Jonathan M. Murray, Michal M. Serafin, Amanda L. Steber, Sean A. Peebles, Rebecca A. Peebles, Charles J. Wurrey, James R. Durig, Gamil A. Guirgis,