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NMR Chemical Shift for 4d$^n$ System (Ⅱ). Calculation of the Pseudo Contact Shift for a 4d$^1$ System in a Strong Crystal Field Environment of Octahedral Symmetry
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  • NMR Chemical Shift for 4d$^n$ System (Ⅱ). Calculation of the Pseudo Contact Shift for a 4d$^1$ System in a Strong Crystal Field Environment of Octahedral Symmetry
  • NMR Chemical Shift for 4d$^n$ System (Ⅱ). Calculation of the Pseudo Contact Shift for a 4d$^1$ System in a Strong Crystal Field Environment of Octahedral Symmetry
저자명
Ahn. Sangwoon,Oh. Se Woong,Park. Euisuh
간행물명
Bulletin of the Korean Chemical Society
권/호정보
1983년|4권 2호|pp.64-67 (4 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

NMR shift arising from the electron orbital angular momentum and the electron spin dipolar-nuclear spin angular momentum interactions has been investigated for a $4d^{1}$ system in a strong crystal field of octahedral symmetry. To examine the NMR shif for a $4d^{1}$ system in a strong crystal field of octahedral symmetry, we derive a general expression for ${Delta}$B/B using a nonmultipole expansion technique. From this expression all the multipolar terms are determined. For the $4d^{1}$ system in a strong crystal field of octahedral symmetry the exact solution for NMR shift, ${Delta}$B, is compared with the multipolar results. ${Delta}$B/B for the $4d^{1}$ system is also compared with that for the $3d^{1}$ system. It is found that the $1/R^{7}$ term contributes dominantly to the NMR shift. However, there is good agreement between the nonmultipole and multipolar results for R-values larger than 0.2 nm for the $4d^{1}$ system but for R-values larger than 0.4 nm for the $3d^{1}$ system.