ArticleJournal of molecular modeling2016
Theoretical study of the cooperative effects between the triel bond and the pnicogen bond in BF3···NCXH2···Y (X = P, As, Sb; Y = H2O, NH3) complexes.
Article in Journal of molecular modeling, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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Who cites it
6 citing papers in PubMed.
- Ga···C Triel Bonds-Why They Are Not Strong Enough to Change Trigonal Configuration into Tetrahedral One: DFT Calculations on Dimers That Occur in Crystal Structures.International journal of molecular sciences · 2023Article
- Evaluation of Electron Density Shifts in Noncovalent Interactions.The journal of physical chemistry. A · 2021Article
- Influence of halogen atom substitution and neutral HCN/anion CNJournal of molecular modeling · 2021Article
- Influence of N-Base and O-Base Hybridization on Triel Bonds.ACS omega · 2020Article
- Triel bonds in RZHJournal of molecular modeling · 2019Article
- Cooperative effects between π-hole triel and π-hole chalcogen bonds.RSC advances · 2018Article
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Authors and funding
5 authors.
Funding
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Abstract
The interplay between the triel bond and the pnicogen bond in BF3···NCXH2···Y (X = P, As, Sb; Y = H2O, NH3) complexes was studied theoretically. Both bonds exhibited cooperative effects, with shorter binding distances, larger interaction energies, and greater electron densities found for the ternary complexes than for the corresponding binary ones. The cooperative effects between the triel bond and the pnicogen bond were probed by analyzing molecular electrostatic potentials, charge transfer, and orbital interactions. The results showed that the enhancement of the triel bond can mainly be attributed to the electrostatic interaction, while the strengthening of the pnicogen bond can be ascribed chiefly to the electrostatic and orbital interactions. In addition, the origins of both the triel bond and the pnicogen bond were deduced via energy decomposition.
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Registered trials
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