Formation of argon–boron bonds in the reactions of BF+/2+ cations with neutral argon

Levee, Lauren; Calogero, Catherine; Barbieri, Edward; Byrne, Steven; Donahue, Courtney M.; Hattenbach, Sean; Le, Julie; Capitani, Joseph F.; Roithová, Jana; Schröder, Detlef

doi:10.1016/j.ijms.2012.05.006

Cited by 7 publications

(4 citation statements)

References 45 publications

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“…Under multi-collision conditions such as those present in our instrument, stabilization of the initial complex could be anticipated. Analogous formation of tightly bound argon complexes has been observed in reactions of SiF 3 2+ [32], CF 3 2 + [33], BF 3 2+ [34] and CH 3 Br 2+ [35] with argon.…”

Section: Introductionsupporting

confidence: 60%

Infrared spectroscopy of CHCl2+ molecular dications

Jašík

Roithová

2015

International Journal of Mass Spectrometry

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Section: Introductionsupporting

confidence: 60%

Infrared spectroscopy of CHCl2+ molecular dications

Jašík

Roithová

2015

International Journal of Mass Spectrometry

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“…Koskinen and Cooks (8) observed the formation of B-Ar + (Fig. 4A), while Levee et al (35) reported the formation of F 2 B-Ar + (Fig. 4B).…”

Section: Significancementioning

confidence: 94%

Rational design of an argon-binding superelectrophilic anion

Mayer

Lessen

Rohdenburg

et al. 2019

Proc. Natl. Acad. Sci. U.S.A.

119

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Chemically binding to argon (Ar) at room temperature has remained the privilege of the most reactive electrophiles, all of which are cationic (or even dicationic) in nature. Herein, we report a concept for the rational design of anionic superelectrophiles that are composed of a strong electrophilic center firmly embedded in a negatively charged framework of exceptional stability. To validate our concept, we synthesized the percyano-dodecoborate [B12(CN)12]2−, the electronically most stable dianion ever investigated experimentally. It serves as a precursor for the generation of the monoanion [B12(CN)11]−, which indeed spontaneously binds Ar at 298 K. Our mass spectrometric and spectroscopic studies are accompanied by high-level computational investigations including a bonding analysis of the exceptional B-Ar bond. The detection and characterization of this highly reactive, structurally stable anionic superelectrophile starts another chapter in the metal-free activation of particularly inert compounds and elements.

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“…[50][51][52] In particular, ArBF 2 + was first predicted by Chen et al 53 and was subsequently detected by Levee et al 54 Over the past few years, new bonding arrangements involving Ng atoms in charged species were also observed and analyzed, i.e., XeF 3 − , 55 64 and C 7 H 6 He n 2+ (n = 1 and 2). 65 These findings strongly support the theoretical work conducted in this area.…”

Section: Introductionmentioning

confidence: 97%

Theoretical investigation of HNgNH3+ ions (Ng = He, Ne, Ar, Kr, and Xe)

Gao

Sheng

2015

The Journal of Chemical Physics

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The equilibrium geometries, harmonic frequencies, and dissociation energies of HNgNH3(+) ions (Ng = He, Ne, Ar, Kr, and Xe) were investigated using the following method: Becke-3-parameter-Lee-Yang-Parr (B3LYP), Boese-Matrin for Kinetics (BMK), second-order Møller-Plesset perturbation theory (MP2), and coupled-cluster with single and double excitations as well as perturbative inclusion of triples (CCSD(T)). The results indicate that HHeNH3(+), HArNH3(+), HKrNH3(+), and HXeNH3(+) ions are metastable species that are protected from decomposition by high energy barriers, whereas the HNeNH3(+) ion is unstable because of its relatively small energy barrier for decomposition. The bonding nature of noble-gas atoms in HNgNH3(+) was also analyzed using the atoms in molecules approach, natural energy decomposition analysis, and natural bond orbital analysis.

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Formation of argon–boron bonds in the reactions of BF+/2+ cations with neutral argon

Cited by 7 publications

References 45 publications

Infrared spectroscopy of CHCl2+ molecular dications

Infrared spectroscopy of CHCl2+ molecular dications

Rational design of an argon-binding superelectrophilic anion

Theoretical investigation of HNgNH3+ ions (Ng = He, Ne, Ar, Kr, and Xe)

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