The Ramsey approach to nuclear magnetic resonance (NMR) spectral parameters, nuclear magnetic shielding (NMS) [1–3], and indirect nuclear spin–spin coupling (NSSC) [4,5], based on quantum mechanical Rayleigh– Schro¨dinger perturbation theory (RSPT), can be reformulated in terms of induced electronic current densities via “phenomenological” relationships that restate the Biot–Savart law (BSL) and other theorems of classical electrodynamics [6] in a quantum context. NMS [1–3] can therefore be expressed via the quantum mechanical electronic current density JB, induced by an applied magnetic field with flux density B. Analogously, the electron-coupled NSSC [4,5] between two nuclei I and J can be described as a result of linear superposition, that is, interference, of two current density vector fields, JmI and JmJ , induced by permanent nuclear magnetic dipoles mI and mJ in the electrons of a molecule [7,8].

Electronic Current Densities Induced by Magnetic Fields and Nuclear Magnetic Dipoles: Theory and Computation of NMR Spectral Parameters / Lazzeretti, Paolo. - STAMPA. - High Resolution NMR Spectroscopy, Vol. 3:(2013), pp. 209-244. [10.1016/B978-0-444-59411-2.00007-1]

Electronic Current Densities Induced by Magnetic Fields and Nuclear Magnetic Dipoles: Theory and Computation of NMR Spectral Parameters

LAZZERETTI, Paolo
2013

Abstract

The Ramsey approach to nuclear magnetic resonance (NMR) spectral parameters, nuclear magnetic shielding (NMS) [1–3], and indirect nuclear spin–spin coupling (NSSC) [4,5], based on quantum mechanical Rayleigh– Schro¨dinger perturbation theory (RSPT), can be reformulated in terms of induced electronic current densities via “phenomenological” relationships that restate the Biot–Savart law (BSL) and other theorems of classical electrodynamics [6] in a quantum context. NMS [1–3] can therefore be expressed via the quantum mechanical electronic current density JB, induced by an applied magnetic field with flux density B. Analogously, the electron-coupled NSSC [4,5] between two nuclei I and J can be described as a result of linear superposition, that is, interference, of two current density vector fields, JmI and JmJ , induced by permanent nuclear magnetic dipoles mI and mJ in the electrons of a molecule [7,8].
2013
High Resolution NMR Spectroscopy: Understanding Molecules and their Electronic Structures
9780444594112
Elsevier Science Ltd
PAESI BASSI
Electronic Current Densities Induced by Magnetic Fields and Nuclear Magnetic Dipoles: Theory and Computation of NMR Spectral Parameters / Lazzeretti, Paolo. - STAMPA. - High Resolution NMR Spectroscopy, Vol. 3:(2013), pp. 209-244. [10.1016/B978-0-444-59411-2.00007-1]
Lazzeretti, Paolo
File in questo prodotto:
Non ci sono file associati a questo prodotto.
Pubblicazioni consigliate

Licenza Creative Commons
I metadati presenti in IRIS UNIMORE sono rilasciati con licenza Creative Commons CC0 1.0 Universal, mentre i file delle pubblicazioni sono rilasciati con licenza Attribuzione 4.0 Internazionale (CC BY 4.0), salvo diversa indicazione.
In caso di violazione di copyright, contattare Supporto Iris

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/974307
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 15
  • ???jsp.display-item.citation.isi??? 12
social impact