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 …
Halogenated Xenon Cyanides ClXeCN, ClXeNC, and BrXeCN
T Arppe, L Khriachtchev, A Lignell… - Inorganic …, 2012 - ACS Publications
We report on the preparation and characterization of three new noble-gas molecules
ClXeCN, ClXeNC, and BrXeCN. These molecules are synthesized by 193 nm photolysis …
ClXeCN, ClXeNC, and BrXeCN. These molecules are synthesized by 193 nm photolysis …
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 …
[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 …
Benchmark of density functional theory methods on the prediction of bond energies and bond distances of noble-gas containing molecules
TY Lai, CY Yang, HJ Lin, CY Yang… - The Journal of chemical …, 2011 - pubs.aip.org
We have tested three pure density functional theory (DFT) functionals, BLYP, MPWPW91,
MPWB95, and ten hybrid DFT functionals, B3LYP, B3P86, B98, MPW1B95, MPW1PW91 …
MPWB95, and ten hybrid DFT functionals, B3LYP, B3P86, B98, MPW1B95, MPW1PW91 …
Cyanide–isocyanide isomerization: stability and bonding in noble gas inserted metal cyanides (metal= Cu, Ag, Au)
The internal isomerization, MNC↔ MCN (M= Cu, Ag, Au), is investigated through quantum
chemical computations. CuNC and AgNC are shown to be neither thermochemically nor …
chemical computations. CuNC and AgNC are shown to be neither thermochemically nor …
Molecular and crystal structures of noble gas compounds
SS Nabiev, VB Sokolov… - Russian Chemical …, 2014 - iopscience.iop.org
Data on the structures of xenon and krypton compounds in various physical states are
analyzed and generalized. The structures of simple, coordination, polymeric and clathrate …
analyzed and generalized. The structures of simple, coordination, polymeric and clathrate …
Theoretical prediction on the thermal stability of cyclic ozone and strong oxygen tunneling
JL Chen, WP Hu - Journal of the American Chemical Society, 2011 - ACS Publications
Dual-level dynamics calculation with variational transition state theory including
multidimensional tunneling has been performed on the isomerization reaction of cyclic …
multidimensional tunneling has been performed on the isomerization reaction of cyclic …
Noble gas inserted metal acetylides (metal= Cu, Ag, Au)
Metal acetylides (MCCH, M= Cu, Ag, Au) were already experimentally detected in molecular
form. Herein, we investigate the possibility of noble gas (Ng) insertion within the C–H bond …
form. Herein, we investigate the possibility of noble gas (Ng) insertion within the C–H bond …