Predictive acid gas adsorption in rare earth DOBDC metal–organic frameworks via complementary cluster and periodic structure models
DJ Vogel, ZR Lee, CA Hanson… - The Journal of …, 2020 - ACS Publications
Eu-DOBDC metal–organic frameworks (MOFs) have demonstrated capabilities in the
adsorption of acid gases, indicating that other rare earth (RE)-DOBDC MOFs are promising …
adsorption of acid gases, indicating that other rare earth (RE)-DOBDC MOFs are promising …
Formation of a Ce (IV) oxo complex via inner sphere nitrate reduction
PL Damon, G Wu, N Kaltsoyannis… - Journal of the American …, 2016 - ACS Publications
Reaction of Ce (NO3) 3 (THF) 4 with Li3 (THF) 3 (NN′ 3)(NN′ 3= N (CH2CH2NR) 3, R=
SitBuMe2) in Et2O, in the presence of 12-crown-4, results in the formation of [Li (12-crown …
SitBuMe2) in Et2O, in the presence of 12-crown-4, results in the formation of [Li (12-crown …
Spectroscopic characterization of the 3+ and 2+ oxidation states of europium in a macrocyclic tetraglycinate complex
The 3+ and 2+ oxidation states of europium have drastically different magnetic and
spectroscopic properties. Electrochemical measurements are often used to probe EuIII/II …
spectroscopic properties. Electrochemical measurements are often used to probe EuIII/II …
Mononuclear oxovanadium (IV) Schiff base complex: Synthesis, spectroscopy, electrochemistry, DFT calculation and catalytic activity
A new complex of oxovanadium, VOL has been synthesized from Schiff base ligand
obtained by the condensation of o-phenylenediamine and 5-bromo-salicylaldehyde. All new …
obtained by the condensation of o-phenylenediamine and 5-bromo-salicylaldehyde. All new …
Quasi-atomic bond analyses in the sixth period: II. Bond analyses of cerium oxides
G Schoendorff, MW Schmidt… - The Journal of …, 2019 - ACS Publications
The role of the 4f orbitals in bonding is examined for the molecules cerium monoxide and
cerium dioxide that have cerium formally in the+ 2 and+ 4 oxidation states, respectively. It is …
cerium dioxide that have cerium formally in the+ 2 and+ 4 oxidation states, respectively. It is …
Energetic and Electronic Properties of AcX and LaX (X= O and F)
The bonding and spectroscopic properties of LaX and AcX (X= O and F) diatomic molecules
were studied by high-level ab initio CCSD (T) and SO-CASPT2 electronic structure …
were studied by high-level ab initio CCSD (T) and SO-CASPT2 electronic structure …
Optical and nonlinear optical properties of Ln (Tp) 2, where Ln= La,…, Lu and Tp= tris (pyrazolyl) borate: a DFT+ TD-DFT study
The molecular structure of Ln (Tp) 2 (where Ln= La to Lu rare earths and Tp= ring-
unsubstituted tris (pyrazolyl) borate) complexes is determined by DFT calculations at …
unsubstituted tris (pyrazolyl) borate) complexes is determined by DFT calculations at …
Properties of Lanthanide Hydroxide Molecules Produced in Reactions of Lanthanide Atoms with H2O2 and H2 + O2 Mixtures: Roles of the +I, +II, +III, and +IV …
The reactions of laser-ablated lanthanide metal atoms with hydrogen peroxide or hydrogen
plus oxygen mixtures have been studied experimentally in a solid argon matrix and …
plus oxygen mixtures have been studied experimentally in a solid argon matrix and …
Spin–orbit coupling and vibronic transitions of Ce (C3H4) and Ce (C3H6) formed by the Ce reaction with propene: Mass-analyzed threshold ionization and relativistic …
Y Zhang, DS Yang - The Journal of Chemical Physics, 2020 - pubs.aip.org
A Ce atom reaction with propene is carried out in a pulsed laser vaporization molecule
beam source. Several Ce–hydrocarbon species formed by the C—H and C—C bond …
beam source. Several Ce–hydrocarbon species formed by the C—H and C—C bond …
The decisive role of 4f-covalency in the structural direction and oxidation state of XPrO compounds (X: group 13 to 17 elements)
WJ Zhang, GJ Wang, P Zhang, W Zou… - Physical Chemistry …, 2020 - pubs.rsc.org
Lanthanide oxo compounds are of vital importance in lanthanide chemistry, as well as in
environmental and materials sciences. Praseodymium, as an exceptional element in …
environmental and materials sciences. Praseodymium, as an exceptional element in …