閉殻重原子系における外部静磁場によって誘起される電子スピン密度の解析

宮本 優弥; 小山 裕貴; 波田 雅彦

doi:10.2477/jccj.2017-0031

Letters (Selected Paper)

Analysis of Electron Spin Density Induced by External Static Magnetic Field in Closed-shell Heavy Atomic Systems

Masaya MIYAMOTO, Yuki OYAMA, Masahiko HADA

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Keywords: Heavy atom NMR chemical shift, Spin density map, Spin-orbit interaction, Zeeman interaction, Spin polarization

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2017 Volume 16 Issue 4 Pages 91-92

DOI https://doi.org/10.2477/jccj.2017-0031

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Abstract

We present a clear equation and a simple display method to analyze theoretically the spin density induced by an external static magnetic field in closed-shell molecules containing heavy atoms (Xe and HI). We showed that the magnitude of the spin density in a heavy-atom-light-atom (HALA) system is proportional to the mixing of the opposite spin orbital caused by the spin-orbit interaction.

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