Long-Range Electron Binding to Quadrupolar Molecules

Desfrançois, C.; Bouteiller, Y.; Schermann, J. P.; Radisic, Dunja; Stokes, Sarah T.; Bowen, Kit H.; Hammer, Nathan I.; Compton, R. N.

doi:10.1103/physrevlett.92.083003

Cited by 54 publications

(46 citation statements)

References 21 publications

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“…The calculated lowest energy configuration of the neutral formamide complex is a head-to-tail cyclic configuration with a null total dipole moment but a rather large positive quadrupole moment, Q ¼ þ48 DÅ , that allows for the formation of stable quadrupole-bound anions (QBA), as studied in previous RET experiments [8,15]. This double H-bond structure corresponds to a high dissociation energy, calculated to be D 0 ¼ 475 meV, i.e.…”

Section: Formamide Dimermentioning

confidence: 91%

Infrared spectroscopy of mass-selected neutral molecular systems without chromophore: the formamide monomer and dimer

Lucas¹,

Grégoire²,

Lecomte³

et al. 2005

Molecular Physics

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The paper presents IR spectroscopic data and theoretical frequency calculations, in the C-H and N-H stretch region, on jet-cooled formamide molecules and dimers. By using dipolebound or quadrupole-bound anion formation, one is able to monitor IR absorption in the neutral beam on mass-selected species. For isolated formamide, resonant IR excitation leads to autodetachment of the excess electron in the dipole-bound anion. For the formamide dimer, the IR spectrum is characteristic from the cyclic dimer, with two neighbouring bonded N-H stretches and a complex spectrum with several lines and a broad absorption band in the C-H region absorption, as for the cyclic formic acid dimer. In this double H-bond configuration, IR absorption cannot lead to vibrational predissociation but it probably produces hot neutral dimers with large-amplitude intermolecular motions that reinforce autodetachment of the nascent weakly bound anions. Thus, the present original IR spectroscopic technique, which allows for rigorous mass-selection of the neutrals, seems to be relevant for any polar neutral species.

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Section: Formamide Dimermentioning

confidence: 91%

Infrared spectroscopy of mass-selected neutral molecular systems without chromophore: the formamide monomer and dimer

Lucas¹,

Grégoire²,

Lecomte³

et al. 2005

Molecular Physics

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“…The future applications of BET will include the structure of quadrupole-bound anions [41,[90][91][92] and the continuum structure of anions, including the characterization of low-lying resonances.…”

Section: Discussionmentioning

confidence: 99%

Bound states of dipolar molecules studied with the Berggren expansion method

et al. 2013

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Bound states of dipole-bound negative anions are studied by using a non-adiabatic pseudopotential method and the Berggren expansion involving bound states, decaying resonant states, and nonresonant scattering continuum. The method is benchmarked by using the traditional technique of direct integration of coupled channel equations. A good agreement between the two methods has been found for well-bound states. For weakly-bound subthreshold states with binding energies comparable with rotational energies of the anion, the direct integration approach breaks down and the Berggren expansion method becomes the tool of choice.PACS numbers: 03.65. Nk, 33.15.Ry

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“…Such electrons exist mainly in three forms: solvent-bound valence anions, cavity-type solvated states, and diffuse states, depending on the medium's electronic properties, heterogeneity, and degree of aggregation. Although solvated states and solvent-bound valence anions are well known, with clearly characterized structures [8][9][10][11][12][13][14][15][16][17], EE delocalization has been relatively little explored. Usually, when an EE is added into a fluid, it is absorbed first as a delocalized state, and then may evolve to a localized state.…”

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confidence: 99%

Solvation and Evolution Dynamics of an Excess Electron in SupercriticalCO2

et al. 2012

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We present an ab initio molecular dynamics simulation of the dynamics of an excess electron solvated in supercritical CO2. The excess electron can exist in three types of states: CO2-core localized, dual-core localized, and diffuse states. All these states undergo continuous state conversions via a combination of long lasting breathing oscillations and core switching, as also characterized by highly cooperative oscillations of the excess electron volume and vertical detachment energy. All of these oscillations exhibit a strong correlation with the electron-impacted bending vibration of the core CO2, and the core-switching is controlled by thermal fluctuations.

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Long-Range Electron Binding to Quadrupolar Molecules

Cited by 54 publications

References 21 publications

Infrared spectroscopy of mass-selected neutral molecular systems without chromophore: the formamide monomer and dimer

Infrared spectroscopy of mass-selected neutral molecular systems without chromophore: the formamide monomer and dimer

Bound states of dipolar molecules studied with the Berggren expansion method

Solvation and Evolution Dynamics of an Excess Electron in SupercriticalCO2

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