Except for two adsorbents having a coordinatively unsaturated site (CUS) for IITKGP-25 and ionic liquid for JCM-1, the C2H2 adsorption site generally forms a weak hydrogen bonding type interaction between the hydrogen of C2H2 and electron-rich sites (oxygen, fluorine, and/or aromatic ligand) ...
A detailed electronic analysis before and after adsorption is proposed. The combined effect of the surface ligand groups (O and Al, or OH depending on the hydration state) and of the molecular adsorbate can produce specific synergy from electronic effects between an electron donor surface O atom ...
The ethylene geometry is slightly perturbed with a C-C distance of 1·4 à and the HCH bonds bent 16° out of the ethylene plane. A comparison with experimental results for the Pd-C2H4 system, as well as with other theoretical studies including electron correlation effects for ...
For the MOFs with open metal site, the ethylene can easily bind to it, leading to highly selective uptake of ethylene over ethane, due to the electrostatic interaction between the π-electron in ethylene and the positive charge in open metal sites36,40,41,42,43,44, such as, HKUST-144, ...
The adsorption of hydrogen, ethylene, acetylene, cyclohexane and benzene was studied on both the (111) and stepped [6(111) × (100)] crystal surfaces of iridium. The techniques used were low energy electron diffraction, Auger electron sp... B.E,Nieuwenhuys,and,... - 《Surface Science》...