ArticleMolecules (Basel, Switzerland)2018
Tetrel Bonds with π-Electrons Acting as Lewis Bases-Theoretical Results and Experimental Evidences.
Article in Molecules (Basel, Switzerland), 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 18 papers.
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18 citing papers in PubMed.
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- C∙∙∙O and Si∙∙∙O Tetrel Bonds: Substituent Effects and Transfer of the SiFInternational journal of molecular sciences · 2023Article
- The Tetrel Bond and Tetrel Halide Perovskite Semiconductors.International journal of molecular sciences · 2023Article
- Chalcogen Bond as a Factor Stabilizing Ligand Conformation in the Binding Pocket of Carbonic Anhydrase IX Receptor Mimic.International journal of molecular sciences · 2022Article
- Can We Merge the Weak and Strong Tetrel Bonds? Electronic Features of Tetrahedral Molecules Interacted with Halide Anions.Molecules (Basel, Switzerland) · 2022Article
- Insight into Spodium-π Bonding Characteristics of the MXMolecules (Basel, Switzerland) · 2022Article
- Exploring Intra- and Intermolecular Interactions in SelectedMolecules (Basel, Switzerland) · 2022Article
- Sensitivity of Intra- and Intermolecular Interactions of Benzo[h]quinoline from Car-Parrinello Molecular Dynamics and Electronic Structure Inspection.International journal of molecular sciences · 2021Article
- Intermolecular interactions between the heavy alkenes HJournal of molecular modeling · 2021Article
- Comparison ofRSC advances · 2021Article
- Inter- vs. Intramolecular Hydrogen Bond Patterns and Proton Dynamics in Nitrophthalic Acid Associates.Molecules (Basel, Switzerland) · 2020Article
- Theoretical Studies of IR and NMR Spectral Changes Induced by Sigma-Hole Hydrogen, Halogen, Chalcogen, Pnicogen, and Tetrel Bonds in a Model Protein Environment.Molecules (Basel, Switzerland) · 2019Article
- Effects of Halogen, Chalcogen, Pnicogen, and Tetrel Bonds on IR and NMR Spectra.Molecules (Basel, Switzerland) · 2019Article
- Identification of the Tetrel Bonds between Halide Anions and Carbon Atom of Methyl Groups Using Electronic Criterion.Molecules (Basel, Switzerland) · 2019Article
- Dual Geometry Schemes in Tetrel Bonds: Complexes between TF₄ (T = Si, Ge, Sn) and Pyridine Derivatives.Molecules (Basel, Switzerland) · 2019Article
- Strong Tetrel Bonds: Theoretical Aspects and Experimental Evidence.Molecules (Basel, Switzerland) · 2018Article
- Comparison between Tetrel Bonded Complexes Stabilized by σ and π Hole Interactions.Molecules (Basel, Switzerland) · 2018Article
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Abstract
MP2/aug-cc-pVTZ calculations were carried out for the ZFH₃-B complexes (Z = C, Si, Ge, Sn and Pb; B = C₂H₂, C₂H₄, C₆H₆ and C₅H₅⁻; relativistic effects were taken into account for Ge, Sn and Pb elements). These calculations are supported by other approaches; the decomposition of the energy of interaction, Quantum Theory of Atoms in Molecules (QTAIM) and Natural Bond Orbital (NBO) method. The results show that tetrel bonds with π-electrons as Lewis bases are classified as Z···C links between single centers (C is an atom of the π-electron system) or as Z···π interactions where F‒Z bond is directed to the mid-point (or nearly so) of the CC bond of the Lewis base. The analogous systems with Z···C/π interactions were found in the Cambridge Structural Database (CSD). It was found that the strength of interaction increases with the increase of the atomic number of the tetrel element and that for heavier tetrel elements the ZFH₃ tetrahedral structure is more deformed towards the structure with the planar ZH₃ fragment. The results of calculations show that the tetrel bond is sometimes accompanied by the Z-H···C hydrogen bond or even sometimes the ZFH₃-B complexes are linked only by the hydrogen bond interaction.
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