کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9594193 | 1507518 | 2005 | 10 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Multiple-magnetic field 139La NMR and density functional theory investigation of the solid lanthanum(III) halides
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Results from a solid-state 139La NMR spectroscopic investigation of the anhydrous lanthanum(III) halides (LaX3; X=F, Cl, Br, I) at applied magnetic fields of 7.0, 9.4, 11.7, 14.1, and 17.6Â T are presented and highlight the advantages of working at high applied magnetic field strengths. The 139La quadrupolar coupling constants are found to range from 15.55 to 24.0Â MHz for LaCl3 and LaI3, respectively. The lanthanum isotropic chemical shifts exhibit an inverse halogen dependence with values ranging from â135Â ppm for LaF3 to 700Â ppm for LaI3, which represents nearly half of the total lanthanum chemical shift range. The spans of the magnetic shielding tensors also vary widely, from 35 to 650Â ppm for the solid LaF3 through LaI3. DFT calculations of the 139La electric field gradient and magnetic shielding tensors have been performed and provide a qualitative interpretation of the trends observed experimentally.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Solid State Nuclear Magnetic Resonance - Volume 28, Issues 2â4, September 2005, Pages 125-134
Journal: Solid State Nuclear Magnetic Resonance - Volume 28, Issues 2â4, September 2005, Pages 125-134
نویسندگان
Kristopher J. Ooms, Kirk W. Feindel, Mathew J. Willans, Roderick E. Wasylishen, John V. Hanna, Kevin J. Pike, Mark E. Smith,