Lone Pair Effect, Structural Distortions, and Potential for Superconductivity in Tl Perovskites
نویسندگان
چکیده
منابع مشابه
Lone pair effect, structural distortions, and potential for superconductivity in Tl perovskites.
Drawing the analogy to BaBiO3, we investigate via ab initio electronic structure calculations potential new superconductors of the type ATlX3 with A = Rb and Cs and X = F, Cl, and Br, with a particular emphasis on RbTlCl3. On the basis of chemical reasoning, supported by the calculations, we show that Tl-based perovskites have structural and charge instabilities driven by the lone pair effect, ...
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The role of the inert (lone) pair of electrons in thallium(I) salts is studied by comparison of the compounds [Tl@18-crown-6]+ X- (X = TlI4, ClO4) and [K@18-crown-6]+ ClO4-. In contrast to common introductory chemistry textbook opinions, the paradigm that s-p hybridization is a prerequisite for an inert electron pair to become stereochemically active in compounds of the heavier main group eleme...
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ژورنال
عنوان ژورنال: Inorganic Chemistry
سال: 2013
ISSN: 0020-1669,1520-510X
DOI: 10.1021/ic400381g