کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
9577592 1505193 2005 10 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Interpretation of vicinal spin-spin coupling constants in ethane via the current-density induced by nuclear magnetic dipoles
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Interpretation of vicinal spin-spin coupling constants in ethane via the current-density induced by nuclear magnetic dipoles
چکیده انگلیسی
The indirect nuclear spin-spin coupling is rationalized via electronic current densities induced by nuclear magnetic dipoles. The coupling-density tensor, a function in real space obtained from the current density, visualizes fundamental aspects of the coupling mechanism. Magnetic group theory and current-density plots are used for discussing the Dirac-van Vleck vector model in the contact interaction. The Biot-Savart law is useful for understanding the sign of the contributions to the magnetic field at a nucleus from a given point of the current field. These tools are used to analyze the vicinal spin-spin coupling in ethane.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics Letters - Volume 409, Issues 4–6, 30 June 2005, Pages 177-186
نویسندگان
, ,