The indirect nuclear spin–spin coupling is rationalized via electronic current densities induced by nuclear magnetic dipoles. Thecoupling-density tensor, a function in real space obtained from the current density, visualizes fundamental aspects of the couplingmechanism. Magnetic group theory and current-density plots are used for discussing the Dirac–van Vleck vector model in the contactinteraction. The Biot–Savart law is useful for understanding the sign of the contributions to the magnetic field at a nucleus froma given point of the current field. These tools are used to analyze the vicinal spin–spin coupling in ethane.

Interpretation of vicinal spin-spin coupling constants in ethane via the current density induced by nuclear magnetic dipoles / A., Soncini; Lazzeretti, Paolo. - In: CHEMICAL PHYSICS LETTERS. - ISSN 0009-2614. - STAMPA. - 409:(2005), pp. 177-186. [10.1016/j.cplett.2005.05.029]

Interpretation of vicinal spin-spin coupling constants in ethane via the current density induced by nuclear magnetic dipoles

LAZZERETTI, Paolo
2005-01-01

Abstract

The indirect nuclear spin–spin coupling is rationalized via electronic current densities induced by nuclear magnetic dipoles. Thecoupling-density tensor, a function in real space obtained from the current density, visualizes fundamental aspects of the couplingmechanism. Magnetic group theory and current-density plots are used for discussing the Dirac–van Vleck vector model in the contactinteraction. The Biot–Savart law is useful for understanding the sign of the contributions to the magnetic field at a nucleus froma given point of the current field. These tools are used to analyze the vicinal spin–spin coupling in ethane.
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Interpretation of vicinal spin-spin coupling constants in ethane via the current density induced by nuclear magnetic dipoles / A., Soncini; Lazzeretti, Paolo. - In: CHEMICAL PHYSICS LETTERS. - ISSN 0009-2614. - STAMPA. - 409:(2005), pp. 177-186. [10.1016/j.cplett.2005.05.029]
A., Soncini; Lazzeretti, Paolo
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/454637
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