The Peculiar Interaction of Trifluoride Anions with Cryogenic Rare Gas Matrices

Author(s):  
Frederik Bader ◽  
Sebastian Riedel ◽  
Helmut Beckers ◽  
Carsten Müller ◽  
Jean Christophe Tremblay ◽  
...  
Keyword(s):  
2015 ◽  
Vol 60 (8) ◽  
pp. 757-763 ◽  
Author(s):  
V.P. Voloshin ◽  
◽  
G.G. Malenkov ◽  
Yu.I. Naberukhin ◽  
◽  
...  

2008 ◽  
Vol 128 (10) ◽  
pp. 615-618 ◽  
Author(s):  
Takeshi Kitajima ◽  
Akihiro Kubota ◽  
Toshiki Nakano

2010 ◽  
Vol 130 (12) ◽  
pp. 1073-1080
Author(s):  
Norihiko Sasaki ◽  
Mitsuharu Nogaku ◽  
Yutaka Uchida

1993 ◽  
Vol 21 (1) ◽  
pp. 35-37
Author(s):  
TADASHI TAKAHASHI
Keyword(s):  
Rare Gas ◽  

2003 ◽  
Vol 68 (3) ◽  
pp. 489-508 ◽  
Author(s):  
Yinghong Sheng ◽  
Jerzy Leszczynski

The equilibrium geometries, harmonic vibrational frenquencies, and the dissociation energies of the OCH+-Rg (Rg = He, Ne, Ar, Kr, and Xe) complexes were calculated at the DFT, MP2, MP4, CCSD, and CCSD(T) levels of theory. In the lighter OCH+-Rg (Rg = He, Ne, Ar) rare gas complexes, the DFT and MP4 methods tend to produce longer Rg-H+ distance than the CCSD(T) level value, and the CCSD-calculated Rg-H+ bond lengths are slightly shorter. DFT method is not reliable to study weak interaction in the OCH+-He and OCH+-Ne complexes. A qualitative result can be obtained for OCH+-Ar complex by using the DFT method; however, a higher-level method using a larger basis set is required for the quantitative predictions. For heavier atom (Kr, Xe)-containing complexes, only the CCSD method predicted longer Rg-H+ distance than that obtained at the CCSD(T) level. The DFT method can be applied to obtain the semiquantitative results. The relativistic effects are expected to have minor effect on the geometrical parameters, the H+-C stretching mode, and the dissociation energy. However, the dissociation energies are sensitive to the quality of the basis set. The nature of interaction between the OCH+ ion and Rg atoms was also analyzed in terms of the interaction energy components.


1992 ◽  
Vol 97 (5) ◽  
pp. 3325-3332 ◽  
Author(s):  
M. Mantel ◽  
M. Schumann ◽  
A. Giez ◽  
H. Langhoff ◽  
W. Hammer ◽  
...  

Molecules ◽  
2021 ◽  
Vol 26 (12) ◽  
pp. 3484
Author(s):  
Felix Duensing ◽  
Elisabeth Gruber ◽  
Paul Martini ◽  
Marcelo Goulart ◽  
Michael Gatchell ◽  
...  

Complexes of atomic gold with a variety of ligands have been formed by passing helium nanodroplets (HNDs) through two pickup cells containing gold vapor and the vapor of another dopant, namely a rare gas, a diatomic molecule (H2, N2, O2, I2, P2), or various polyatomic molecules (H2O, CO2, SF6, C6H6, adamantane, imidazole, dicyclopentadiene, and fullerene). The doped HNDs were irradiated by electrons; ensuing cations were identified in a high-resolution mass spectrometer. Anions were detected for benzene, dicyclopentadiene, and fullerene. For most ligands L, the abundance distribution of AuLn+ versus size n displays a remarkable enhancement at n = 2. The propensity towards bis-ligand formation is attributed to the formation of covalent bonds in Au+L2 which adopt a dumbbell structure, L-Au+-L, as previously found for L = Xe and C60. Another interesting observation is the effect of gold on the degree of ionization-induced intramolecular fragmentation. For most systems gold enhances the fragmentation, i.e., intramolecular fragmentation in AuLn+ is larger than in pure Ln+. Hydrogen, on the other hand, behaves differently, as intramolecular fragmentation in Au(H2)n+ is weaker than in pure (H2)n+ by an order of magnitude.


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