EXAFS and DFT: Evidence for the [Tc=O]~(2+)core

Eric Breynaert; Christine E. A. Kirschhock; Andre Maes

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EXAFS and DFT: Evidence for the [Tc=O]~(2+)core

机译：EXAFS和DFT：[Tc = O]〜（2+）核的证据

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摘要

A structure elucidation strategy combining X-ray AbsorptionSpectroscopy (XAS) and Density Functional Theory (DFT)is demonstrated and reveals the existence of the [Tc=O]~(2+)moiety.

机译：阐述了结合X射线吸收光谱法（XAS）和密度泛函理论（DFT）的结构阐明策略，并揭示了[Tc = O]〜（2+）部分的存在。

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《Dalton transactions: An international journal of inorganic chemistry》 |2009年第43期|共4页
作者
Eric Breynaert; Christine E. A. Kirschhock; Andre Maes;
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正文语种 eng
中图分类化学;
关键词
structure elucidation; strategy combining; emonstrated;

机译：结构阐明;策略组合;证明;

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1. EXAFS and DFT: Evidence for the [Tc=O]~(2+)core [J] . Eric Breynaert, Christine E. A. Kirschhock, Andre Maes Dalton transactions: An international journal of inorganic chemistry . 2009,第43期

机译：EXAFS和DFT：[Tc = O]〜（2+）核的证据
2. 7Se NMR Spectroscopic, DFT M0, and VBT Investigations of the Reversible Dissociation of solid (Se_61_2)[AsF_6]_2.2S0_2 in Liquid S02 to Solutions Containing 1,4-Se_6_2~2+ in Equilibrium with Se_n~2+ (n = 4, 8,10) and Seven Binary Selenium Iodine Cations: Preliminary Evidence for 1,1,4,4-Se4Br42+ and cyclo-Sе,Br+ [J] . Scott Brownridge, Larry Calhoun, H. Donald B. Jenkins, Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2009,第5期

机译：7Se NMR光谱，DFT M0和VBT研究固体（Se_61_2）[AsF_6] _2.2S0_2在液体S02中可逆解离为平衡状态下含1,4-Se_6_2〜2 +和Se_n〜2 +的溶液（n = 4 ，8,10）和七个二元碘碘阳离子：1,1,4,4-Se4Br42 +和环Sе，Br +的初步证据
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7. Exafs and DFT: Evidence for the Tc=O2+ core [O] . Breynaert Eric, Kirschhock Christine, Maes André 2009

机译：Exafs和DFT：Tc = O 2+核心的证据

EXAFS and DFT: Evidence for the [Tc=O]~(2+)core

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