Hybridization and Covalency in the Group 2 and Group 12 Metal Cation/Rare Gas Complexes

Autor: Yu Zheng, William D. Tuttle, Joe P. Harris, W. H. Breckenridge, Timothy G. Wright

Publikováno v: The journal of physical chemistry. A. 122(38)

We provide a consistent set of interaction energy curves for the Group 2 (IIA) and Group 12 (IIB) metal cation/rare gas complexes, M+-RG, where M+= Be+–Ra+ and Zn+–Hg+; and RG = He–Rn. We report spectroscopic constants derived from these, compa

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::43f6bd6bf642fc484525cbaffdc5e587
https://pubmed.ncbi.nlm.nih.gov/30169959

Theoretical Study of M+–RG2 (M+ = Li, Na, Be, Mg; RG = He–Rn)

Autor: Richard J. Plowright, W. H. Breckenridge, Anna Andrejeva, Adrian M. Gardner, Jack B. Graneek, Timothy G. Wright

Publikováno v: The Journal of Physical Chemistry A. 117:13578-13590

Ab initio calculations were employed to determine the geometry (MP2 level), and dissociation energies [MP2 and RCCSD(T) levels], of the M(IIa)(+)-RG2 species, where M(IIa) is a group 2 metal, Be or Mg, and RG is a rare gas (He-Rn). We compare the res

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f9fd777dc3a6398a96df3fc944338d3b
https://doi.org/10.1021/jp4075652

Radii of Atomic Ions Determined From Diatomic Ion−He Bond Lengths

Autor: W. H. Breckenridge, Timothy G. Wright

Publikováno v: The Journal of Physical Chemistry A. 114:3182-3189

We propose a new definition of the effective radius of an atomic ion: the bond distance (R(e)) of the ion/He diatomic complex minus the van der Waals radius of the helium atom. Our rationale is that He is the most chemically inert and least polarizab

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8037f089df0fb66205604cd12ad076a5
https://doi.org/10.1021/jp9091927

Charge transfer in metal-atom-containing molecules in the gas phase

Autor: W. H. Breckenridge, Niloufar Shafizadeh, Benoît Soep, J. M. Mestdagh

Publikováno v: International Reviews in Physical Chemistry
International Reviews in Physical Chemistry, 2009, 28 (3), pp.359-406. ⟨10.1080/01442350903052663⟩
International Reviews in Physical Chemistry, Taylor & Francis, 2009, 28 (3), pp.359-406. ⟨10.1080/01442350903052663⟩

International audience; The presence of charge transfer (CT) is ubiquitous in metal-atom-containing molecules in the gas phase. The states of interest range from ground states to the lower excited states, given the generally low ionisation potentials

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::92be67532840ba420f5d76f3c80176b3
https://doi.org/10.1080/01442350903052663

Analysis of the bonding in alkali-cation/Rg complexes (Rg=He–Xe) using a simple model potential

Autor: Timothy G. Wright, Victoria L. Ayles, W. H. Breckenridge

Publikováno v: Chemical Physics. 333:77-84

We have applied the model-potential analysis of Breckenridge and co-workers to the Alk+/Rg systems, where Alk is an alkali atom and Rg is a rare-gas atom. Three spectroscopic constants, Re, De and ωe, are employed to obtain the potential, with fitte

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::6602e992bf4eb8b88fa882a39842fe6f
https://doi.org/10.1016/j.chemphys.2007.01.008