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image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Journal of Magnetic ...arrow_drop_down
image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
Journal of Magnetic Resonance (1969)
Article . 1987 . Peer-reviewed
License: Elsevier TDM
Data sources: Crossref
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The NMR chemical shift for a 5d1 system in a crystal-field environment of octahedral symmetry

Authors: Sangwoon Ahn; Se Woung Oh;

The NMR chemical shift for a 5d1 system in a crystal-field environment of octahedral symmetry

Abstract

Abstract From the electronic wavefunctions for 5d orbitals expressed in a common coordinate system, the radial part of the integrals and angular part of the hyperfine interaction integrals are evaluated and expressed in analytical forms. General formulas for the NMR chemical shifts arising from the 5d electron orbital angular momentum and the 5d electron spin dipolar-nuclear spin angular momentum interaction in zero crystal field and in weak and strong crystal-field environments of octahedral symmetry are derived. In zero crystal field the NMR chemical shift is independent of the angular coordinate. However, in a weak crystal-field environment of octahedral symmetry the ground state is split into three levels by the spin-orbit coupling and a weak crystal-field interactions but in a strong crystal-field environment of octahedral symmetry, the ground state is split into two levels by the spin-orbit coupling interaction. The NMR chemical shifts along the x, y, and z axes equal each other in a weak or strong crystal-field environment of octahedral symmetry. The 1 R 5 term contributes dominantly to the NMR chemical shift in a weak octahedral crystal field, while the major contribution arises from the 1 R 7 term in a strong octahedral crystal field. The temperature dependence analysis shows that the 1 T term contributes dominantly to the NMR chemical shift in a weak octahedral crystal field; however, the major contribution arises from the 1 T 2 term in a strong octahedral crystal field.

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citations
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
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Average
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