Computational and Experimental Data: A Gallium(I) β-Amido-Imino-Phosphorane: A Five-membered N-Heterocyclic Gallylene with Enhanced Nucleophilicity

Name: Computational and Experimental Data: A Gallium(I) β-Amido-Imino-Phosphorane: A Five-membered N-Heterocyclic Gallylene with Enhanced Nucleophilicity
Creator: Zenodo
Published: 2026-03-30 06:31:19
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Zenodo2026-03-30 更新2026-05-26 收录

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https://zenodo.org/doi/10.5281/zenodo.18354815

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Optimized (BP86(D3BJ)/def2SVP) geometries of selected N-heterocyclic gallylenes and CUBE files for the gallium(I) β-amido-imino-phosphorane (compound 5) computed at the M06(D3)/def2TZVP level of theory. NMR, IR and HRMS raw data for the compounds reported in this study.

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2026-03-30