The influence of tetrel bonds on the acidities of group 14 tetrafluoride ‐ inorganic acid complexes
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26822
Abstract: Ab initio methods were used to determine the influence of tetrel bond formation on the acidity. The systems composed of inorganic acids and tetrafluorides of 14 group elements have been tested ‐ HA/EF4, where HA… read more here.
Keywords: group; tetrel bonds; bonds acidities; tetrel ... See more keywords
Tetrel bonding on graphene
Sign Up to like & getrecommendations! Published in 2019 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2018.11.011
Abstract: Abstract Many experimental detections and theoretical calculations have shown that the small molecules CO2, N2, CO, H2O and NH3 can be adsorbed on the graphene-family nanomaterials. The molecule CO2 can form tetrel bonds with N2,… read more here.
Keywords: co2; tetrel bonding; graphene tetrel; bonding graphene ... See more keywords
Competition between σ-hole pnicogen bond and π-hole tetrel bond in complexes of CF2=CFZH2 (Z = P, As, and Sb)
Sign Up to like & getrecommendations! Published in 2019 at "Molecular Physics"
DOI: 10.1080/00268976.2018.1508782
Abstract: ABSTRACT A computational study of the complexes formed by F2C=CFZH2 (Z = P, As, and Sb) and F2C=CFPF2 with two Lewis bases (NH3 and NMe3) has been carried out. In general, two minima complexes are found, one… read more here.
Keywords: pnicogen bond; hole pnicogen; bond; tetrel ... See more keywords
The Tetrel Bond and Tetrel Halide Perovskite Semiconductors
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DOI: 10.3390/ijms24076659
Abstract: The ion pairs [Cs+•TtX3−] (Tt = Pb, Sn, Ge; X = I, Br, Cl) are the building blocks of all-inorganic cesium tetrel halide perovskites in 3D, CsTtX3, that are widely regarded as blockbuster materials for… read more here.
Keywords: tetrel bond; tetrel; halide perovskite; tetrel halide ... See more keywords
On the Power of Geometry over Tetrel Bonds
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DOI: 10.3390/molecules23112742
Abstract: Tetrel bonds are noncovalent interactions formed by tetrel atoms (as σ-hole carriers) with a Lewis base. Here, we present a computational and molecular orbital study on the effect of the geometry of the substituents around… read more here.
Keywords: tetrel bonds; tetrel; geometry; geometry tetrel ... See more keywords
Differential Binding of Tetrel-Bonding Bipodal Receptors to Monatomic and Polyatomic Anions
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DOI: 10.3390/molecules24020227
Abstract: Previous work has demonstrated that a bidentate receptor containing a pair of Sn atoms can engage in very strong interactions with halide ions via tetrel bonds. The question that is addressed here concerns the possibility… read more here.
Keywords: tetrel; differential binding; binding tetrel; tetrel bonding ... See more keywords