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The NMR Chemical Shift for 4d$^n$ Systems(Ⅲ). Calculation of the NMR Shift for a 4d$^1$ System in a Strong Crystal Field Enviroment of Tetragonal Symmetry
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  • The NMR Chemical Shift for 4d$^n$ Systems(Ⅲ). Calculation of the NMR Shift for a 4d$^1$ System in a Strong Crystal Field Enviroment of Tetragonal Symmetry
  • The NMR Chemical Shift for 4d$^n$ Systems(Ⅲ). Calculation of the NMR Shift for a 4d$^1$ System in a Strong Crystal Field Enviroment of Tetragonal Symmetry
저자명
Ahn. Sang-Woon,Park. Eui-Suh,Oh. Se-Woung
간행물명
Bulletin of the Korean Chemical Society
권/호정보
1984년|5권 2호|pp.55-60 (6 pages)
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대한화학회
파일정보
정기간행물|ENG|
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이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
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기타언어초록

The NMR shift arising from the electron angular momentum and electron spin dipolar-nuclear spin angular momentum interactions has been investigated for a $4d^1$system in a strong crystal field environment of tetragonal symmetry. A general formula for NMR shift is used to compute the NMR shifts along the (100), (010), (001), (110) and (111) axes. We find that from the computed results, the NMR shift along the (100) and (010) axes is consistent with each other in a strong crystal field environment of tetragonal symmetry, but the NMR shift along the (001) axis is about triply greater in magnitude than those along the (100) and (010) axes and is opposite in sign to those along (100) and (010) axes. In this work, we express the expansion coefficients $a_1^{(i)}$ and $b_1^{(i)}$ of $A_i$ and $B_i$ in terms of $g_m^{(i)}$ and $h_m^{(i)}$ and two matrices $c_{lm}$ and $d_{lm}$ of radial dependence. The NMR shift is also separated into the contributions of multipolar terms. We find that $1/R^3$ term contributes dominantly to the NMR shift along the (100), (010), (001) and (110) axes while along the (111) axis $1/R^5$ term dominantly contributes. However, the contribtions of the other terms may not be negligible.