ArticleJournal of molecular modeling2012
Substitution, cooperative, and solvent effects on π pnicogen bonds in the FH(2)P and FH(2)As complexes.
Article in Journal of molecular modeling, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
5 citing papers in PubMed, 56 citations in OpenAlex.
- Insight into Spodium-π Bonding Characteristics of the MXMolecules (Basel, Switzerland) · 2022Article
- Synergistic and antagonistic interplay between tetrel bond and pnicogen bond in complexes involving ring compounds.Journal of molecular modeling · 2019Article
- Enhancing effect of metal coordination interaction on pnicogen bonding.Journal of molecular modeling · 2016Article
- 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.Journal of molecular modeling · 2016Article
- A comprehensive analysis of P···π pnicogen bonds: substitution effects and comparison with Br···π halogen bonds.Journal of molecular modeling · 2015Article
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Authors and funding
6 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Ab initio calculations have been carried out to study the substitution effect on the π pnicogen bond in ZH(2)P-C(2)HM (Z = H, H(3)C, NC, F; M = H, CH(3), Li) dimer, cooperative effect of the π pnicogen bond and hydrogen bond in XH-FH(2)Y-C(2)H(4) (X = HO, NC, F; Y = P and As) trimer, and solvent effect on the π pnicogen bond in FH(2)P-C(2)H(2), FH(2)P-C(2)H(4), FH(2)As-C(2)H(2), and FH(2)As-C(2)H(4) dimers. The interaction energy of π pnicogen bond increases in magnitude from -1.51 kcal mol(-1) in H(3)P-C(2)H(2) dimer to -7.53 kcal mol(-1) in FH(2)P-C(2)HLi dimer at the MP2/aug-cc-pVTZ level. The π pnicogen bond is enhanced by 12-30 % due to the presence of hydrogen bond in the trimer. The π pnicogen bond is also enhanced in solvents. The natural bond orbital analysis and symmetry adapted perturbation theory (SAPT) were used to unveil the source of substitution, cooperative, and solvent effects.
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