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 …
Superstrong Chemical Bonding of Noble Gases with Oxidoboron (BO+) and Sulfidoboron (BS+)
Inspired by the overwhelming exploration of noble gas–boron (Ng–B) bond containing
chemical compounds, the stability of the Ng bound BY+ and AlY+ (Y= O and S) has been …
chemical compounds, the stability of the Ng bound BY+ and AlY+ (Y= O and S) has been …
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 …
HXeOBr in a xenon matrix
L Khriachtchev, S Tapio, AV Domanskaya… - The Journal of …, 2011 - pubs.aip.org
We report on a new noble-gas molecule HXeOBr prepared in a low-temperature xenon
matrix from the HBr and N 2 O precursors by UV photolysis and thermal annealing. This …
matrix from the HBr and N 2 O precursors by UV photolysis and thermal annealing. This …
Theoretical Prediction of Noble Gas Inserted Thioformyl Cations: HNgCS+ (Ng = He, Ne, Ar, Kr, and Xe)
The existence of new interesting insertion compounds, HNgCS+ (Ng= He–Xe), have been
predicted theoretically through insertion of a noble gas atom into the thioformyl cation …
predicted theoretically through insertion of a noble gas atom into the thioformyl cation …
Theoretical Prediction of Rare Gas Containing Hydride Cations: HRgBF+ (Rg = He, Ar, Kr, and Xe)
The existence of rare-gas-containing hydride ions of boron (HRgBF+) has been predicted by
using ab initio quantum chemical methods. The HRgBF+ ions are obtained by inserting a …
using ab initio quantum chemical methods. The HRgBF+ ions are obtained by inserting a …
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 …
Theoretical Prediction of XRgCO+ Ions (X = F, Cl, and Rg = Ar, Kr, Xe)
In this work we have predicted novel rare gas containing cationic molecules, XRgCO+ (X= F,
Cl and Rg= Ar, Kr, Xe) using ab initio quantum chemical methods. Detail structural, stability …
Cl and Rg= Ar, Kr, Xe) using ab initio quantum chemical methods. Detail structural, stability …
Stability of Noble‐Gas‐Bound SiH3+ Clusters
The stability of noble gas (Ng)‐bound SiH3+ clusters is explored by ab initio computations.
Owing to a high positive charge (+ 1.53 e−), the Si center of SiH3+ can bind two Ng atoms …
Owing to a high positive charge (+ 1.53 e−), the Si center of SiH3+ can bind two Ng atoms …