Organo-Zintl Clusters [P7R4]: A New Class of Superalkalis.
作者： Santanab Giri , G. N. Reddy , Puru Jena
DOI: 10.1021/ACS.JPCLETT.5B02892
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摘要: Zintl ions composed of Group 13, 14, and 15 elements are multiply charged cluster anions that form the building blocks phase. Superalkalis, on other hand, cationic clusters mimic chemistry alkali atoms. It is, therefore, counterintuitive to expect can be used as a core construct superalkalis. In this paper, using density functional theory, we show is indeed possible. The results compared with calculations at MP2 level theory. A systematic study P73– decorated organic ligands [R = Me, CH2Me, CH(Me)2 C(Me)3] shows ionization energies some P7R4 species smaller than those atoms hence classified This opens door design synthesis new class superalkali moieties apart from traditional ones only inorganic elements.
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