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. 2023 Sep 15;127(38):19072–19087. doi: 10.1021/acs.jpcc.3c02679

Figure 9.

Figure 9

Electronic DOS of different stages in synthesis of Sn-β, as calculated with periodic DFT. (A) Free bidentate Sn(II) acetate in the pore of deAl-β (B) framework-coordinated Sn(II) with acetic acid ligands interacting with the silanol nest (Structure 2a). (C) Framework-coordinated Sn(II) with the acetic acid dis-coordinated (Structure 8). (D) Sn (IV) incorporated into β framework (Structure 16). A key is provided for the DOS interpretation, and a dashed vertical line marks the Fermi level.