Ion-induced dipole H−n clusters

  title={Ion-induced dipole H−n clusters},
  author={Anne Marie Sapse and M. T. Rayez-Meaume and Jean Claude Rayez and L. J. Massa},
THERE has long been an interest in the study of ion-induced dipole clusters of the type H+n (n, odd integer). These positive clusters may be present in gaseous nebulae1,2, and Clampitt and Gowland3 have discovered in mass spectrometer experiments such H+n ions for 3≤n(odd)≤99. The ions are very weakly bound because of the nature of the ion-induced dipole forces involved, and thus must be produced at low temperatures. In these experiments a layer of hydrogen gas is deposited on a metal surface… Expand
17 Citations
Odd and even numbered hydrogen ion clusters
Since the suggestion that hydrogen ion clusters of the type H+n may be present in gaseous nebulae1,2 and interstellar space3,4 and the early experiments of Clampitt and Gowland5, who discovered suchExpand
Ion induced dipole clusters H(n)- (3 ≤ n-odd ≤ 13): density functional theory calculations of structure and energy.
By recalculating the energetics of the ion induced dipole clusters using density function theory (DFT) B3LYP method calculations, it is proved that in general they are not true minima because not all the resulting frequencies correspond to real values. Expand
The quantum structure of anionic hydrogen clusters.
A flexible and polarizable interatomic potential has been developed to model hydrogen clusters interacting with one hydrogen anion, in a broad range of sizes n = 1-54, and it is found that strong finite size effects are also found between magic numbers, associated with more prominent vibrational delocalization. Expand
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Theoretical study on the structure and stability of hydrogen-ion clusters Hn+ and Hn− (n = 3, 5, 7, 9, 11, 13)
Abstract Ab initio SCF and CI calculations have been carried out for H n + and H n − ( n = 3, 5, 7, 9, 11, 13) clusters with a double-zeta plus polarization basis set. The stabilization energy ofExpand
Coupled Cluster and Quantum Monte-Carlo study of anionic hydrogen clusters Hn-3≤n(odd)≤11
Abstract The possible geometries of the anionic hydrogen clusters H n - 3 ≤ n o d d ≤ 11 have been investigated. The equilibrium ground state structures have been obtained at the coupled-clusterExpand
Some ab initio valence bond studies of the H5− anion
Abstract The results of some ab initio valence bond calculations with 1s basis sets are reported for the anion H − 5 as H 2 ⋯H − ⋯H 2 . Both single-zeta and double-zeta calculations have beenExpand
Theoretical study of the H3− cluster
Calculations at the ab initio level with an extended basis set including polarization functions have been performed in order to study the possible existence of ion–induced dipole clusters like H3− inExpand
Theoretical study of structure and stability of h+x (h2)n clusters
Abstract The ion clusters H + X· (H 2 ) n (X = N 2 , CO, O 2 and H 2 and n = 0, 1, 2) are investigated by means of SCF and CI computations in a double-zeta plus polarization gaussian basis It isExpand


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In a recent paper V.I. Krassovsky (1958) predicts the occurrence of clusters of large numbers of atoms and molecules around ions in the interstellar gas. He then proposes a number of physicochemicalExpand
The Structure of H3, H3+, and of H3—. IV
In this paper, a direct calculation is made of the force constant for bending the nuclei in the triatomic hydrogen molecule, H3, and in the ion, H3+, from a straight line. The neutral molecule hasExpand
Binding Energy and Geometry of the Hydrogen Clusters Hn
Clampitt1 and Gowland have reported the discovery of the hydrogen ion clusters Hn+,3≤n-odd≤99, in mass spectrometer experiments. We report here preliminary results from Hartree-Fock-RoothaanExpand
Ion-induced dipole clusters: Be2+He2
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A configuration‐interaction (CI) calculation on the ground state of H3– has been carried out using a minimal basis set made up of a 1s Slater‐type orbital (STO) centered on each nucleus. The mostExpand
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The He–Be2+ interaction energy for internuclear separations from 0.16 to 0.79 A has been determined from single‐configuration MO‐SCF calculations and compared to that deduced by Giffen and Berry fromExpand
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An extended basis set of atomic functions expressed as fixed linear combinations of Gaussian functions is presented for hydrogen and the first‐row atoms carbon to fluorine. In this set, described asExpand
Self‐Consistent Molecular‐Orbital Methods. I. Use of Gaussian Expansions of Slater‐Type Atomic Orbitals
Least‐squares representations of Slater‐type atomic orbitals as a sum of Gaussian‐type orbitals are presented. These have the special feature that common Gaussian exponents are shared betweenExpand