نتایج جستجو برای: alkali metal cation

تعداد نتایج: 260304  

Journal: :Physical chemistry chemical physics : PCCP 2015
Huarong Tang Dongmei Lu Chao Wu

Cation-assisted interactions between N-containing heterocycles (NHCs) and CO2 have been systematically studied by using density functional theory (DFT). For neutral and anionic (non-carbenoid) NHCs, the effects of monovalent cations (i.e., alkali metal ions) are moderate to small (the NHC-CO2 binding energy change, ΔBE usually < 25 kJ mol(-1)). However, for NHC carbenes, due to their strong bas...

Journal: :Journal of the American Chemical Society 2012
Jian Tian Laxmikant V Saraf Birgit Schwenzer Stephanie M Taylor Euan K Brechin Jun Liu Scott J Dalgarno Praveen K Thallapally

Flexible anionic metal-organic frameworks (MOFs) are transformed into neutral heterobimetallic systems via single-crystal-to-single-crystal processes invoked by cation insertion. These transformations are directed by cooperative bond breakage and formation, resulting in expansion or contraction of the 3D framework by up to 33% due to the flexible nature of the organic linker. These MOFs display...

2017
Hasan Pašalić Adelia J A Aquino Daniel Tunega Georg Haberhauer Martin H Gerzabek Hans Lischka

Cation-π interactions were systematically investigated for the adsorption of H+ and alkali metal cations M+ to pyrene by means of Møller-Plesset perturbation theory (MP2) and density functional theory (DFT). The main aims were to determine the preferred adsorption sites and how the microhydration shell influences the adsorption process. The preferred adsorption sites were characterized in terms...

Journal: :Sustainable Energy and Fuels 2021

Varying the extraframework metal cation on alkali exchanged mordenite tunes ethanol dehydrogenation properties of ZnO supported mordenite, resulting in enhanced lifetime, low ethylene selectivity and increased acetaldehyde productivity per Zn.

2015
Moses Wazingwa Munthali Naoto Matsue

The saturation of negative charges of zeolites by specific cations to modify their physicochemical and catalytic properties has broadened the applications of zeolites. The adsorption behavior of H+ to Li+, Na+, K+, Rb+ and Cs+-saturated Linde-type A, Na-P1, mordenite, X type and Y type zeolites was evaluated at different pH-pM, where pH-pM is equal to log {(M+)/(H+)} and M+ represents either Li...

2015
Jessica R. Levin Walter L. Dorfner Patrick J. Carroll Eric J. Schelter

A series of alkali metal cerium diphenylhydrazido complexes, Mx(py)y[Ce(PhNNPh)4], M 1⁄4 Li, Na, and K, x 1⁄4 4 (Li and Na) or 5 (K), and y1⁄4 4 (Li), 8 (Na), or 7 (K), were synthesized to probe how a secondary coordination sphere would modulate electronic structures at a cerium cation. The resulting electronic structures of the heterobimetallic cerium diphenylhydrazido complexes were found to ...

Journal: :Angewandte Chemie 2011
Sarah N Spisak Alexander V Zabula Alexander S Filatov Andrey Yu Rogachev Marina A Petrukhina

The ion size matters: the structures of corannulene monoanions crystallized with Cs(+) and Rb(+) ions in the presence of [18]crown-6 reveal the intrinsic binding preferences of alkali metals and allow evaluation of the bowl deformation caused by negative charge distribution and metal binding. The large cesium cation coordinates exclusively to the concave face of C(20) H(10)(-), whereas the smal...

Journal: :Langmuir : the ACS journal of surfaces and colloids 2010
Benjamin Klasczyk Volker Knecht Reinhard Lipowsky Rumiana Dimova

We study the interaction of alkali metal chlorides with lipid vesicles made of palmitoyloleoylphosphatidylcholine (POPC). An elaborate set of techniques is used to investigate the binding process at physiological conditions. The alkali cation binding to POPC is characterized thermodynamically using isothermal titration calorimetry. The isotherms show that for all ions in the alkali group the bi...

2014
William W. Brennessel John E. Ellis

The title salt, [K(C18H36N2O6)][Co(CO)4], is an example of a classical carbonyl-metalate. The asymmetric unit contains one cation and one tetrahedral anion, both in general positions. Based on comparison of the four carbonyl C-O bond lengths and C-Co-C angles, the anion is unperturbed by the cation, which is normal for an alkali metal fully encased by a cryptand cage.

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