Photodetachment of small water cluster anions in the near-infrared through the visible region

Maeyama, Toshihiko; Tsumura, Tohru; Fujii, Asuka; Mikami, Naohiko

doi:10.1016/s0009-2614(96)01337-1

Cited by 38 publications

(30 citation statements)

References 19 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…100 (H 2 O) n -clusters have also received considerable attention from the experimental and theoretical communities. 59,77,[108][109][110][111][112][113][114][115] There remain several fundamental questions about these species, including the size cluster for which the electron is more stable in an interior rather than a surface state, and how the anions observed experimentally are formed.…”

Section: General Considerationsmentioning

confidence: 99%

A Drude-model approach to dispersion interactions in dipole-bound anions

Wang¹,

Jordan²

2001

The Journal of Chemical Physics

View full text Add to dashboard Cite

A one-electron model potential for calculating the binding energy of an excess electron interacting with polar molecules and their clusters is described. The unique feature of this potential is the treatment of polarization and dispersion effects by means of a Drude model. The approach is tested by calculating the energies for binding an excess electron to HCN, (HCN)2, HNC, and (HNC)2. The model potential results are found to be in good agreement with the predictions of high-level all-electron calculations.

show abstract

Section: General Considerationsmentioning

confidence: 99%

A Drude-model approach to dispersion interactions in dipole-bound anions

Wang¹,

Jordan²

2001

The Journal of Chemical Physics

View full text Add to dashboard Cite

show abstract

“…This is clear evidence for diffuse spatial distribution of the excess electron in a cluster. The diffuse spatial distribution is characteristic of a dipole-bound anion [14] and solvated electron clusters [15]. In the case of the dipole-bound anion, for example, the PDCS is evaluated by the dipole matrix element between the wave functions of the dipole-bound electron and the free electron.…”

mentioning

confidence: 99%

“…On the other hand, the free electron wave function has nodes which become dense with increasing kinetic energy. Thus, the magnitude of the dipole matrix element has a maximum around the threshold detachment energy and decreases with the photon energy, since the overlap integral is canceled out by the fast oscillation of the free electron wave function [14,15]. Thus, the anion state of band I is assigned to either dipole-bound anion or solvated electron state.…”

mentioning

confidence: 99%

Coexistence of Solvated Electrons and Solvent Valence Anions in Negatively Charged Acetonitrile Clusters,(CH3CN)n−
Mitsui
¹
,
Ando
²
,
Kokubo
³

et al. 2003
Phys. Rev. Lett.
51
5
37
1
View full text Add to dashboard Cite

Anion photoelectron spectroscopy of acetonitrile cluster anions, (CH3CN)(-)(n) (n=10-100), successfully demonstrates the competitive coexistence of two different anionic species: a solvated electron and a solvent-bound valence anion. The distinctly different nature of these anions is revealed by hole-burning-type photoelectron spectroscopy and relative photodetachment cross section measurements. This unusual coexistence is attributed to the closely lying nature of their anionic states at just the number of solvent molecules sufficient to almost complete the first solvation layer.

show abstract

“…The validity of such an extrapolation is supported by the fact that the absorption spectra of individual water cluster anions gradually approach the bulk spectrum as the number of molecules in clusters increases 3. In addition to these data on the hydrated electron, it seems proved that all water cluster anions can keep an excess electron and exist (at n ≥ 6) in at least two stable configurations 5–13.…”

Section: Introductionmentioning

confidence: 88%

Hydrated electron: Nonempirical cluster approach

Novakovskaya

Stepanov

2002

Int J of Quantum Chemistry

View full text Add to dashboard Cite

ABSTRACT:Interface water anions composed of several chainlike or cyclic fragments were simulated with a 6-31ϩϩG** basis set at the unrestricted Hartree-Fock level with the second-order Moeller-Plesset perturbation theory corrections taken into account. The estimated vertical electron detachment energies (VDEs) of (H 2 O) n Ϫ anions were approximated by a VDE-n Ϫ1/3 dependence close to the experimental one. A hypothesis about the predominant formation of interface structures under conditions of molecular flows is put forward. The atomic population analysis, character of the highest occupied molecular orbital, and changes in the geometry of interface anions with an increase in their molecular size reveal the compact localization of the excess electron density in water clusters and allow evaluating the effective excess-electron radius of condensed water as 2.5 Å, in good agreement with a similar empirical estimate. The scope of the data obtained shows the relatively low probability of the formation of octahedral hydration shells compared to the tetrahedral coordination of solvating water molecules.

show abstract

Photodetachment of small water cluster anions in the near-infrared through the visible region

Cited by 38 publications

References 19 publications

A Drude-model approach to dispersion interactions in dipole-bound anions

A Drude-model approach to dispersion interactions in dipole-bound anions

Coexistence of Solvated Electrons and Solvent Valence Anions in Negatively Charged Acetonitrile Clusters,(CH3CN)n−
Mitsui
¹
,
Ando
²
,
Kokubo
³

et al. 2003
Phys. Rev. Lett.
51
5
37
1
View full text Add to dashboard Cite

Hydrated electron: Nonempirical cluster approach

Contact Info

Product

Resources

About

Photodetachment of small water cluster anions in the near-infrared through the visible region

Cited by 38 publications

References 19 publications

A Drude-model approach to dispersion interactions in dipole-bound anions

A Drude-model approach to dispersion interactions in dipole-bound anions

Coexistence of Solvated Electrons and Solvent Valence Anions in Negatively Charged Acetonitrile Clusters,(CH3CN)n−Mitsui1, Ando2, Kokubo3 et al. 2003Phys. Rev. Lett.515371View full textAdd to dashboardCite

Hydrated electron: Nonempirical cluster approach

Contact Info

Product

Resources

About

Coexistence of Solvated Electrons and Solvent Valence Anions in Negatively Charged Acetonitrile Clusters,(CH3CN)n−
Mitsui
¹
,
Ando
²
,
Kokubo
³

et al. 2003
Phys. Rev. Lett.
51
5
37
1
View full text Add to dashboard Cite