In quest of strong Be–Ng bonds among the neutral Ng–Be complexes
The global minimum geometries of BeCN2 and BeNBO are linear BeN–CN and BeN–BO,
respectively. The Be center of BeCN2 binds He with the highest Be–He dissociation energy …
respectively. The Be center of BeCN2 binds He with the highest Be–He dissociation energy …
Confinement induced binding of noble gas atoms
The stability of Ng n@ B 12 N 12 and Ng n@ B 16 N 16 systems is assessed through a
density functional study and ab initio simulation. Although they are found to be …
density functional study and ab initio simulation. Although they are found to be …
Infrared Spectra of NgBeS (Ng = Ne, Ar, Kr, Xe) and BeS2 in Noble-Gas Matrices
Laser-ablated beryllium atom has been codeposited at 4 K with hydrogen sulfide in excess
noble gas matrices. Four noble-gas compounds NgBeS (Ng= Ne, Ar, Kr, Xe) and the BeS2 …
noble gas matrices. Four noble-gas compounds NgBeS (Ng= Ne, Ar, Kr, Xe) and the BeS2 …
Metastable behavior of noble gas inserted tin and lead fluorides
Ab initio computations are carried out to explore the structure and stability of FNgEF3 and
FNgEF (E= Sn, Pb; Ng= Kr–Rn) compounds. They are the first reported systems to possess …
FNgEF (E= Sn, Pb; Ng= Kr–Rn) compounds. They are the first reported systems to possess …
A coupled‐cluster study on the noble gas binding ability of metal cyanides versus metal halides (metal= Cu, Ag, Au)
A coupled‐cluster study is carried out to investigate the efficacy of metal (I) cyanide (MCN;
M= Cu, Ag, Au) compounds to bind with noble gas (Ng) atoms. The M Ng bond …
M= Cu, Ag, Au) compounds to bind with noble gas (Ng) atoms. The M Ng bond …
[HTML][HTML] Exploring the nature of silicon-noble gas bonds in H3SiNgNSi and HSiNgNSi compounds (Ng= Xe, Rn)
Ab initio and density functional theory-based computations are performed to investigate the
structure and stability of H 3 SiNgNSi and HSiNgNSi compounds (Ng= Xe, Rn). They are …
structure and stability of H 3 SiNgNSi and HSiNgNSi compounds (Ng= Xe, Rn). They are …
A computational study on structure, stability and bonding in Noble Gas bound metal Nitrates, Sulfates and Carbonates (Metal= Cu, Ag, Au)
A density functional theory based study is performed to investigate the noble gas (Ng= Ar-
Rn) binding ability of nitrates, sulfates and carbonates of noble metal (M). Their ability to …
Rn) binding ability of nitrates, sulfates and carbonates of noble metal (M). Their ability to …
Ab Initio Study on the Stability of NgnBe2N2, NgnBe3N2 and NgBeSiN2 Clusters
The global minima of Be2N2, Be3N2 and BeSiN2 clusters are identified using a modified
stochastic kick methodology. The structure, stability and bonding nature of these clusters …
stochastic kick methodology. The structure, stability and bonding nature of these clusters …
Xenon–Nitrogen Chemistry: Gas‐Phase Generation and Theoretical Investigation of the Xenon–Difluoronitrenium Ion F2NXe+
L Operti, R Rabezzana, F Turco… - … A European Journal, 2011 - Wiley Online Library
The xenon–difluoronitrenium ion F2N Xe+, a novel xenon–nitrogen species, was obtained
in the gas phase by the nucleophilic displacement of HF from protonated NF3 by Xe …
in the gas phase by the nucleophilic displacement of HF from protonated NF3 by Xe …
A noble interaction: An assessment of noble gas binding ability of metal oxides (metal= Cu, Ag, Au)
An in silico study is performed on the structure and the stability of noble gas (Ng) bound MO
complexes (M= Cu, Ag, Au). To understand the stability of these Ng bound complexes …
complexes (M= Cu, Ag, Au). To understand the stability of these Ng bound complexes …