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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…
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Keywords:
group;
tetrel bonds;
bonds acidities;
tetrel ... See more keywords
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Published in 2021 at "ACS Omega"
DOI: 10.1021/acsomega.1c04085
Abstract: The tetrel bond formed by HC≡CX, H2C=CHX, and H3CCH2X (X=F, Cl, Br, I) as an electron donor and TH3F (T=C, Si, Ge) was explored by ab initio calculations. The tetrel bond formed by H3CCH2X is…
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Keywords:
tetrel bonds;
electron donor;
comparison electron;
bond ... See more keywords
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1
Published in 2022 at "RSC Advances"
DOI: 10.1039/d1ra09346k
Abstract: Spontaneous self-assembly is one of the available synthetic routes to achieve structurally versatile and unique crystal complexes with selected metal–ligand combinations in the spirit of pseudohalides. In this endeavour, we designed a novel 1D coordination…
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Keywords:
spectroscopic findings;
coordination;
tetrel bonds;
spodium tetrel ... See more keywords
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2
Published in 2018 at "Molecules"
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…
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Keywords:
tetrel bonds;
tetrel;
geometry;
geometry tetrel ... See more keywords