Computational Bottom-up Design of Ytterbium（II） Complex with Pyridyl Amido Ligand

Having been designed via bottom-up strategy based on density functional theory（DFT） calculations, a complex of ytterbium（II） with pyridyl amido ligand was successfully synthesized by one-pot reaction in laboratory, DFT calculation shows that pyridyl amido ligands can stabilize the complex via steric...

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Veröffentlicht in:	高等学校化学研究：英文版 2015 (2), p.294-297
1. Verfasser:	PAN Chengling TANG Guodong ZHENG Bin Ahmed ELSHEWY XU Jiqing
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Sprache:	eng
Schlagworte:	吡啶基密度泛函理论氨基计算表设计配体配合物镱
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creator	PAN Chengling TANG Guodong ZHENG Bin Ahmed ELSHEWY XU Jiqing
description	Having been designed via bottom-up strategy based on density functional theory（DFT） calculations, a complex of ytterbium（II） with pyridyl amido ligand was successfully synthesized by one-pot reaction in laboratory, DFT calculation shows that pyridyl amido ligands can stabilize the complex via steric and electron effect. This success in integrating computation with synthesis will inspire more explorations in the development of a new complex in lanthanide chemistry.
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subjects	吡啶基密度泛函理论氨基计算表设计配体配合物镱
title	Computational Bottom-up Design of Ytterbium（II） Complex with Pyridyl Amido Ligand
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