Exploring the pnicogen bond non-covalent interactions in 4-XPhNH2:PFnH3-n complexes (n = 1–3, X = H, F, CN, CHO, NH2, CH3, NO2 and OCH3)

Roohi, Hossein; Tondro, Tahereh

doi:10.1016/j.jfluchem.2017.08.009

Cited by 3 publications

(1 citation statement)

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“…A relatively new congener of noncovalent interactions is the pnictogen bond (PnB), − which (in analogy with the IUPAC definition of a halogen bond) can be defined as an attractive interaction between the electron-deficient region of a pnictogen (group 15 element) called a pnictogen bond donor and a Lewis base (pnictogen bond acceptor, acting as an electron pair donor) . In the past few years, the potential of PnB in structural assembly, supramolecular architecture, anion sensing, (organo)catalysis, and molecular recognition has also been highlighted. ,− On the basis of thorough computational studies, ,,− pnictogen bonding is chiefly electrostatic in nature (attraction between the oppositely charged regions around the two centers). Moreover, charge transfer effects (donation from the lone pair of the Lewis base into the σ*-antibonding orbitals at the pnictogen center) may also contribute, though to a much lesser extent.…”

Section: Introductionmentioning

confidence: 99%

Tweaking the Charge Transfer: Bonding Analysis of Bismuth(III) Complexes with a Flexidentate Phosphane Ligand

et al. 2020

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To account for the charge transfer and covalent character in bonding between P and Bi centers, the electronic structures of [P(C 6 H 4 - o -CH 2 SCH 3 ) 3 BiCl n ] (3– n )+ ( n = 0–3) model species have been investigated computationally. On the basis of this survey a synthetic target compound with a dative P→Bi bond has been selected. Consecutively, the highly reactive bismuth cage [P(C 6 H 4 - o -CH 2 SCH 3 ) 3 Bi] 3+ has been accessed experimentally and characterized. Importantly, our experiments (single-crystal X-ray diffraction and solid-state NMR spectroscopy) and computations (NBO and AIM analysis) reveal that the P···Bi bonding in this trication can be described as a dative bond. Here we have shown that our accordion-like molecular framework allows for tuning of the interaction between P and Bi centers.

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