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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 12, Number 6
BKCSDE 12(6)
June 20, 1991

Title	The Pseudocontact Shift for a 3d9 System in a Strong Crystal Field Environment of Tetragonally Distorted Tetrahedral Symmetry
Author	Dong Hee Kim, Kee Hag Lee*
Keywords
Abstract	A general expression adopting a nonmultipole expansion method is derived for pseudocontact contribution to the NMR chemical shift arising from the electron orbital angular momentum and electron spin dipolar-nuclear spin angular momentum interaction of 3d9 system in a strong crystal field of tetragonally distorted tetrahedral symmetry. From this expression all the multipolar term are determined and the exact solution of △B/B(ppm) is compared with the multipolar term. The 1/R5 term in thge multipolar terms contributes dominantly to the NMR chemical shift but the other terms are certainly significant except that of the <111> axis. In addition, an analysis of the temperature dependence of the NMR chemical shift further illustrates that considerable care must be taken in interpeting NMR results in paramagnetic system.
Page	618 - 625
Full Text	PDF

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