Solution Studies of a Water-Stable, Trivalent Antimony Pnictogen Bonding Anion Receptor with High Binding Affinities for CN–, OCN–, and OAc–

Qiu, Jinchun; Bateman, Curt N.; Lu, Shuai; George, Gary C.; Li, Xiaopeng; Gorden, John D.; Vasylevskyi, Serhii; Cozzolino, Anthony F.

doi:10.1021/acs.inorgchem.3c01887

Cited by 4 publications

(2 citation statements)

References 83 publications

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“…Especially, we are interested in the solvent effect of water due to the fact that ion recognition in aqueous solution is a major challenge in supramolecular chemistry. [42][43][44] Here, the solvent effects of water and toluene are considered. Interestingly, it is found that the structure of EUPR in solvents is quite different from that in gas phase.…”

Section: Geometric Configurationsmentioning

confidence: 99%

Synergistic regulation of chloride anion recognition using a triple‐functional sites receptor with two different cationic effectors

Yao,

Yuan,

et al. 2024

J Comput Chem

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The synergistic regulation of the multi‐functional sites on one receptor molecule with different cationic effectors for anion recognition is scarce to be well understood from the experiment and theory. In this work, a new anion receptor with three functional zones including ether hole, biurea and double bipyridine groups (EUPR) is designed expecting to enhance the chloride anion recognition together with a rational synthesis path being proposed based on four simple and mature organic reaction steps. The conformational structures of the designed receptor EUPR and the binding behaviors for three kinds of ions (Cl−, Na+, and Ag+) are deeply investigated by using density functional theoretical calculations. It is found that Cl− binding via the hydrogen bond interaction can be significantly enhanced and synergistically regulated by the two kinds of cations and the corresponding conformational changes of receptor EUPR. Especially, the conformational pre‐organization of receptor caused by the encapsulation of sodium ion into ether hole is benefit to the binding for Cl− in both thermodynamics and kinetics. Na+ binding, in turn, can ever be enhanced by chloride anion, whereas it seems that Ag+ binding cannot always be enhanced by chloride anion, reflecting an electrical complementary matching and mutual enhancement effect for different counter ions. Moreover, solvent effect calculations indicate that EUPR may be an ideal candidate structure for Cl− recognition by strategy of counter ion enhancement in water. Additionally, a visual study of intermolecular noncovalent interaction (NCI) and molecular electrostatic potential (ESP) are used for the analysis on the nature of interactions between receptor and bound ions.

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Section: Geometric Configurationsmentioning

confidence: 99%

Synergistic regulation of chloride anion recognition using a triple‐functional sites receptor with two different cationic effectors

Yao,

Yuan,

et al. 2024

J Comput Chem

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“…Anion binding has also been investigated by the Cozzolino group using oxygen-bridged bidentate distibines 38 such as 14 which displays halide binding constants in CH 2 Cl 2 of 870,000 ± 98,000 M -1 , 16,900 ± 5,000 M –1 , 2,390 ± 1,470 M –1 for chloride, bromide, and iodide, respectively ( Figure 4 ). 39 In addition to showing halide anion binding selectivity, 14 also interacts with the cyanide anion and effectively promotes its phase transfer for applications in cyanation chemistry.…”

Section: Anion Complexation Chemistrymentioning

confidence: 99%

Binding, Sensing, And Transporting Anions with Pnictogen Bonds: The Case of Organoantimony Lewis Acids

Murphy,

Gabbaï

2023

J. Am. Chem. Soc.

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Motivated by the discovery of main group Lewis acids that could compete or possibly outperform the ubiquitous organoboranes, several groups, including ours, have engaged in the chemistry of Lewis acidic organoantimony compounds as new platforms for anion capture, sensing, and transport. Principal to this approach are the intrinsically elevated Lewis acidic properties of antimony, which greatly favor the addition of halide anions to this group 15 element. The introduction of organic substituents to the antimony center and its oxidation from the + III to the + V state provide for tunable Lewis acidity and a breadth of applications in supramolecular chemistry and catalysis. The performances of these antimony-based Lewis acids in the domain of anion sensing in aqueous media illustrate the favorable attributes of antimony as a central element. At the same time, recent advances in anion binding catalysis and anion transport across phospholipid membranes speak to the numerous opportunities that lie ahead in the chemistry of these unique main group compounds.

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Electrochemical transformations and photophysical, anti/prooxidant properties of triphenylantimony(V) complexes with tridentate redox-active Schiff bases

Burmistrova,

Pomortseva,

Polovinkina

et al. 2024

Journal of Organometallic Chemistry

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Solution Studies of a Water-Stable, Trivalent Antimony Pnictogen Bonding Anion Receptor with High Binding Affinities for CN^–, OCN^–, and OAc^–

Cited by 4 publications

References 83 publications

Synergistic regulation of chloride anion recognition using a triple‐functional sites receptor with two different cationic effectors

Synergistic regulation of chloride anion recognition using a triple‐functional sites receptor with two different cationic effectors

Binding, Sensing, And Transporting Anions with Pnictogen Bonds: The Case of Organoantimony Lewis Acids

Electrochemical transformations and photophysical, anti/prooxidant properties of triphenylantimony(V) complexes with tridentate redox-active Schiff bases

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