scholarly journals Photo-induced strengthening of weak bonding in noble gas dimers

2014 ◽  
Vol 104 (20) ◽  
pp. 201107 ◽  
Author(s):  
Yoshiyuki Miyamoto ◽  
Takehide Miyazaki ◽  
Angel Rubio ◽  
Hong Zhang
Keyword(s):  
Noble Gas ◽  
Noble Gas Dimers

scholarly journals On the Proton-Bound Noble Gas Dimers (Ng-H-Ng)+ and (Ng-H-Ng')+ (Ng, Ng'= He-Xe): Relationships betweenStructure, Stability, and Bonding Character

Molecules ◽  
2021 ◽  
Vol 26 (5) ◽  
pp. 1305
Author(s):  
Stefano Borocci ◽  
Felice Grandinetti ◽  
Nico Sanna
Keyword(s):  
Theoretical Calculations ◽  
Noble Gas ◽  
Structure Stability ◽  
Covalent Bonds ◽  
Dissociation Energies ◽  
Non Covalent Interactions ◽  
The Difference ◽  
Noble Gas Dimers ◽  
Covalent Interactions ◽  
Cluster Level

The structure, stability, and bonding character of fifteen (Ng-H-Ng)+ and (Ng-H-Ng')+ (Ng, Ng' = He-Xe) compounds were explored by theoretical calculations performed at the coupled cluster level of theory. The nature of the stabilizing interactions was, in particular, assayed using a method recently proposed by the authors to classify the chemical bonds involving the noble-gas atoms. The bond distances and dissociation energies of the investigated ions fall in rather large intervals, and follow regular periodic trends, clearly referable to the difference between the proton affinity (PA) of the various Ng and Ng'. These variations are nicely correlated with the bonding situation of the (Ng-H-Ng)+ and (Ng-H-Ng')+. The Ng-H and Ng'-H contacts range, in fact, between strong covalent bonds to weak, non-covalent interactions, and their regular variability clearly illustrates the peculiar capability of the noble gases to undergo interactions covering the entire spectrum of the chemical bond.

scholarly journals Calculation of dispersion interactions with the geminal-based ring Coupled Cluster Doubles method

2020 ◽  
Vol 139 (9) ◽  
Author(s):  
Á. Margócsy ◽  
Á. Szabados
Keyword(s):  
Wave Function ◽  
Asymptotic Behaviour ◽  
Noble Gas ◽  
Valence Bond ◽  
Coupled Cluster ◽  
Leading Order ◽  
Dispersion Interactions ◽  
Dispersion Energy ◽  
Generalized Valence Bond ◽  
Noble Gas Dimers

Abstract The performance of the recently developed multi-reference extension of ring coupled cluster doubles is investigated for dispersion energy calculations, applied to the generalized valence bond wave function. The leading-order contribution to the dispersion energy is shown to have the correct asymptotic behaviour. Illustrative calculations on noble gas dimers are presented.

Frustrated Tunnel Ionization of Noble Gas Dimers with Rydberg-Electron Shakeoff by Electron Charge Oscillation

2013 ◽  
Vol 110 (2) ◽  
Author(s):  
A. von Veltheim ◽  
B. Manschwetus ◽  
W. Quan ◽  
B. Borchers ◽  
G. Steinmeyer ◽  
...  
Keyword(s):  
Noble Gas ◽  
Electron Charge ◽  
Tunnel Ionization ◽  
Rydberg Electron ◽  
Charge Oscillation ◽  
Noble Gas Dimers

Imaging the impulsive alignment of noble-gas dimers via Coulomb explosion

2014 ◽  
Vol 89 (2) ◽  
Author(s):  
A. von Veltheim ◽  
B. Borchers ◽  
G. Steinmeyer ◽  
H. Rottke
Keyword(s):  
Noble Gas ◽  
Coulomb Explosion ◽  
Noble Gas Dimers

Noble gas dimers confined inside C70

2019 ◽  
Vol 21 (28) ◽  
pp. 15815-15822 ◽  
Author(s):  
Sara Gómez ◽  
Albeiro Restrepo
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Noble Gas ◽  
Energy Surfaces ◽  
Noble Gas Dimers

The potential energy surfaces for the interior rotation of a series of pairs of noble gas atoms encapsulated in the C70 cavity have been explored.

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