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.
Data di pubblicazione: | 2013 |
Titolo: | Electronic Current Densities Induced by Magnetic Fields and Nuclear Magnetic Dipoles: Theory and Computation of NMR Spectral Parameters |
Autore/i: | Lazzeretti, Paolo |
Autore/i UNIMORE: | |
Digital Object Identifier (DOI): | http://dx.doi.org/10.1016/B978-0-444-59411-2.00007-1 |
Codice identificativo Scopus: | 2-s2.0-84878957659 |
Titolo del libro: | High Resolution NMR Spectroscopy: Understanding Molecules and their Electronic Structures |
ISBN: | 9780444594112 |
Editore: | Elsevier Science Ltd |
Nazione editore: | PAESI BASSI |
Citazione: | 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. |
Tipologia | Capitolo/Saggio |
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