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NMR Chemical Shift for a 4d$^1$ system when the Threefold Axis is Chosen to be the Axis of Quantization
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  • NMR Chemical Shift for a 4d$^1$ system when the Threefold Axis is Chosen to be the Axis of Quantization
  • NMR Chemical Shift for a 4d$^1$ system when the Threefold Axis is Chosen to be the Axis of Quantization
저자명
Ahn. Sang-Woon,Yuk. Geun-Young,Ro. Seung-Woo
간행물명
Bulletin of the Korean Chemical Society
권/호정보
1986년|7권 2호|pp.89-96 (8 pages)
발행정보
대한화학회
파일정보
정기간행물|ENG|
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이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
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기타언어초록

The NMR chemical shift arising from 4d electron angular momentum and 4d electron spin dipolar-nuclear spin angular momentum interaction for a $4d^1$ system in a strong crystal field of octahedral symmetry, when the threefold axis is chosen as the quantization axis, has been investigated. A general expression using a nonmultipole expansion method is derived for the NMR chemical shift. From this expression all the multipolar terms are determined. We find that the nonmultipolar results for the NMR chemical shift ${Delta}B$, is exactly in agreement with the multipolar results when $R {ge} 0.20$ nm. It is also found that the 1/$R^7$ term contributes to the NMR chemical shift almost the same as the 1/$R^5$ in magnitude. The temperature dependence analysis of ${Delta}B$/B(ppm) at various values of R shows that the 1/$T^2$ term has the dominant contribution to the NMR chemical shift but the contributions of other two terms are certainly significant for a $4d^1$ system in a strong crystal field of octahedral symmetry when the threefold axis is chosen to be the axis of quantization.