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NMR Chemical Shift for 4d$^n$System (Ⅳ). Calculation of NMR Chemical Shift for 4d$^2$ System in a Strong Crystal Field Environment of Octahedral Symmetry
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  • NMR Chemical Shift for 4d$^n$System (Ⅳ). Calculation of NMR Chemical Shift for 4d$^2$ System in a Strong Crystal Field Environment of Octahedral Symmetry
  • NMR Chemical Shift for 4d$^n$System (Ⅳ). Calculation of NMR Chemical Shift for 4d$^2$ System in a Strong Crystal Field Environment of Octahedral Symmetry
저자명
Ahn. Sang-Woon,Oh. Se-Woong,Yang. Jae-Hyun
간행물명
Bulletin of the Korean Chemical Society
권/호정보
1985년|6권 5호|pp.255-259 (5 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 orbital angular momentum and 4d electron spin dipolar-nuclear Spin angular momentum interactions for a $4d^2$ system in a strong crystal field environment of octahedral symmetry has been investigated when the four fold axis is taken as the quantization axis. The NMR results are comparted with the multipolar shift at various R-values and we find that the exact results are in agreement with the multipolar shift when $R{geqslant}0.20 nm.$ We also separate the NMR shift into the contribution of the $1/R^5$ and $1/R^7$ terms. It is found that the contribution of the $1/R^5$term to the NMR shift is dominant than the contribution of the $1/R^7$ term. Temperature dependence analysis shows that the $1/T^2$ term is the dominant contribution to the NMR shift for a $4d^2$ system but the contribution of the 1/T term may not negligible. The similar results are obtained for a $4d^1$ system from the temperature dependence analysis.